4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C27H29ClN2O4 — CID 17427270

IUPAC4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccccc2CN2CCOCC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H29ClN2O4/c1-32-26-16-21(8-11-25(26)34-19-20-6-9-24(28)10-7-20)27(31)29-17-22-4-2-3-5-23(22)18-30-12-14-33-15-13-30/h2-11,16H,12-15,17-19H2,1H3,(H,29,31)
InChIKeyPNKIVNVMKRWWFD-UHFFFAOYSA-N
MW480.99 g/mol
LogP4.69
Rot. Bonds9

About 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 17427270) has the molecular formula C27H29ClN2O4 and a molecular weight of 480.99 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID17427270
Molecular FormulaC27H29ClN2O4
Molecular Weight480.99 g/mol
Exact Mass480.18
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccccc2CN2CCOCC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C27H29ClN2O4/c1-32-26-16-21(8-11-25(26)34-19-20-6-9-24(28)10-7-20)27(31)29-17-22-4-2-3-5-23(22)18-30-12-14-33-15-13-30/h2-11,16H,12-15,17-19H2,1H3,(H,29,31)
InChIKeyPNKIVNVMKRWWFD-UHFFFAOYSA-N
XLogP4.69
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.99
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
4-[(4-chlorophenyl)methoxy]-N-(furan-3-ylmethyl)-3-methoxybenzamide
CID 55702606
2-[(4-fluorophenyl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17494490
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 25402275
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
4-chloro-N-[3-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 9481353
3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide
CID 39172679
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
CID 119834795

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 17427270) is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is COc1cc(C(=O)NCc2ccccc2CN2CCOCC2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is PNKIVNVMKRWWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4/c1-32-26-16-21(8-11-25(26)34-19-20-6-9-24(28)10-7-20)27(31)29-17-22-4-2-3-5-23(22)18-30-12-14-33-15-13-30/h2-11,16H,12-15,17-19H2,1H3,(H,29,31).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 480.99 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17427270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).