N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

C27H25F5N4O4 — CID 90460202

IUPACN-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3ccc(C(F)F)cc3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H25F5N4O4/c1-16(36-10-12-39-13-11-36)25(37)35-22-14-19(6-9-23(22)40-27(30,31)32)26(38)34-20-7-8-21(33-15-20)17-2-4-18(5-3-17)24(28)29/h2-9,14-16,24H,10-13H2,1H3,(H,34,38)(H,35,37)
InChIKeyFJXNQTNRVQCBSY-UHFFFAOYSA-N
MW564.51 g/mol
LogP5.50
Rot. Bonds8

About N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (PubChem CID 90460202) has the molecular formula C27H25F5N4O4 and a molecular weight of 564.51 g/mol. Its IUPAC name is N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
PubChem CID90460202
Molecular FormulaC27H25F5N4O4
Molecular Weight564.51 g/mol
Exact Mass564.18
IUPAC NameN-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3ccc(C(F)F)cc3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C27H25F5N4O4/c1-16(36-10-12-39-13-11-36)25(37)35-22-14-19(6-9-23(22)40-27(30,31)32)26(38)34-20-7-8-21(33-15-20)17-2-4-18(5-3-17)24(28)29/h2-9,14-16,24H,10-13H2,1H3,(H,34,38)(H,35,37)
InChIKeyFJXNQTNRVQCBSY-UHFFFAOYSA-N
XLogP5.50
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.51
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42609962
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
N-[5-[6-[(3R,4S)-3-fluorooxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609669
4-(6-(18F)fluoro-2-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
CID 16105553
4-(6-(18F)fluoro-3-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
CID 16105555
N-[5-(5-amino-2-pyridinyl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 156019009
N-(2,4-dimethyl-5-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 156019072
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide
CID 10250531
7-(2-(3-(2-(2-(dimethylamino)ethoxy)-5-(trifluoromethyl)phenyl)ureido)ethyl)-N-methylisoquinoline-3-carboxamide
CID 11454895
N-[2-methyl-5-(3-morpholinobenzamido)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (CID 90460202) is N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is CC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3ccc(C(F)F)cc3)nc2)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The InChIKey is FJXNQTNRVQCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F5N4O4/c1-16(36-10-12-39-13-11-36)25(37)35-22-14-19(6-9-23(22)40-27(30,31)32)26(38)34-20-7-8-21(33-15-20)17-2-4-18(5-3-17)24(28)29/h2-9,14-16,24H,10-13H2,1H3,(H,34,38)(H,35,37).
What are the key properties of N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide has a molecular weight of 564.51 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(difluoromethyl)phenyl]-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90460202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).