4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide

C70H91ClFN9O8 — CID 87713822

IUPAC4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide
SMILESCCCCN1CCC(N(C)c2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)c(F)c4)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)c(Cl)c2)CC1
InChIInChI=1S/C35H45ClN4O5.C35H46FN5O3/c1-5-8-19-40-20-17-28(18-21-40)44-29-14-15-30(31(36)23-29)34(41)37-25-9-12-27(13-10-25)45-32-16-11-26(22-33(32)43-4)39-35(42)38-24(6-2)7-3;1-5-8-21-41-22-19-29(20-23-41)40(4)28-13-9-25(10-14-28)34(42)37-27-11-15-30(16-12-27)44-31-17-18-33(32(36)24-31)39-35(43)38-26(6-2)7-3/h9-16,22-24,28H,5-8,17-21H2,1-4H3,(H,37,41)(H2,38,39,42);9-18,24,26,29H,5-8,19-23H2,1-4H3,(H,37,42)(H2,38,39,43)
InChIKeyNKMABGCWKXBRMP-UHFFFAOYSA-N
MW1241.00 g/mol
LogP16.23
Rot. Bonds27

About 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide

4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide (PubChem CID 87713822) has the molecular formula C70H91ClFN9O8 and a molecular weight of 1241.00 g/mol. Its IUPAC name is 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide
PubChem CID87713822
Molecular FormulaC70H91ClFN9O8
Molecular Weight1241.00 g/mol
Exact Mass1239.67
IUPAC Name4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide
SMILESCCCCN1CCC(N(C)c2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)c(F)c4)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)c(Cl)c2)CC1
InChIInChI=1S/C35H45ClN4O5.C35H46FN5O3/c1-5-8-19-40-20-17-28(18-21-40)44-29-14-15-30(31(36)23-29)34(41)37-25-9-12-27(13-10-25)45-32-16-11-26(22-33(32)43-4)39-35(42)38-24(6-2)7-3;1-5-8-21-41-22-19-29(20-23-41)40(4)28-13-9-25(10-14-28)34(42)37-27-11-15-30(16-12-27)44-31-17-18-33(32(36)24-31)39-35(43)38-26(6-2)7-3/h9-16,22-24,28H,5-8,17-21H2,1-4H3,(H,37,41)(H2,38,39,42);9-18,24,26,29H,5-8,19-23H2,1-4H3,(H,37,42)(H2,38,39,43)
InChIKeyNKMABGCWKXBRMP-UHFFFAOYSA-N
XLogP16.23
TPSA187.10 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001241.00
LogP ≤ 516.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide with MolForge

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Related Compounds

4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide
CID 87721208
4-[2-(1-butylpiperidin-4-yl)oxyethyl]-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide
CID 91001282
4-[(1-benzylpiperidin-4-yl)-methylamino]-N-[4-[2-ethoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 68969828
4-(1-butan-2-ylpiperidin-4-yl)oxy-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxybenzamide
CID 87721218
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide
CID 69143674
4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-(2-methoxy-4-nitrophenoxy)phenyl]-3-methylbenzamide
CID 68969305
4-(1-benzylpiperidin-4-yl)oxy-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 68965748
N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 69143425
N-[4-[1-(4-hydroxybutyl)piperidin-4-yl]oxyphenyl]-N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]acetamide
CID 69144842
4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide
CID 91359232
N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[(1-propan-2-ylpiperidin-4-yl)methoxy]benzamide
CID 68969074
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-ethoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-N-(2-methoxyethyl)benzamide
CID 69145220

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide?
The IUPAC name of 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide (CID 87713822) is 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide.
What is the SMILES notation for 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide?
The canonical SMILES for 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide is CCCCN1CCC(N(C)c2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)c(F)c4)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)c(Cl)c2)CC1.
What is the InChIKey of 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide?
The InChIKey is NKMABGCWKXBRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45ClN4O5.C35H46FN5O3/c1-5-8-19-40-20-17-28(18-21-40)44-29-14-15-30(31(36)23-29)34(41)37-25-9-12-27(13-10-25)45-32-16-11-26(22-33(32)43-4)39-35(42)38-24(6-2)7-3;1-5-8-21-41-22-19-29(20-23-41)40(4)28-13-9-25(10-14-28)34(42)37-27-11-15-30(16-12-27)44-31-17-18-33(32(36)24-31)39-35(43)38-26(6-2)7-3/h9-16,22-24,28H,5-8,17-21H2,1-4H3,(H,37,41)(H2,38,39,42);9-18,24,26,29H,5-8,19-23H2,1-4H3,(H,37,42)(H2,38,39,43).
What are the key properties of 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide?
4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide has a molecular weight of 1241.00 g/mol, XLogP of 16.23, 27 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butylpiperidin-4-yl)-methylamino]-N-[4-[3-fluoro-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-(1-butylpiperidin-4-yl)oxy-2-chloro-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide is sourced from PubChem (CID 87713822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).