2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide

C16H12ClF4N3O3 — CID 55794760

IUPAC2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C16H12ClF4N3O3/c17-11-6-9(18)1-2-10(11)14(26)22-4-3-13(25)24-12-5-8(16(19,20)21)7-23-15(12)27/h1-2,5-7H,3-4H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyNORKBRZNZOLXJN-UHFFFAOYSA-N
MW405.74 g/mol
LogP2.94
Rot. Bonds5

About 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide

2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide (PubChem CID 55794760) has the molecular formula C16H12ClF4N3O3 and a molecular weight of 405.74 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide
PubChem CID55794760
Molecular FormulaC16H12ClF4N3O3
Molecular Weight405.74 g/mol
Exact Mass405.05
IUPAC Name2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C16H12ClF4N3O3/c17-11-6-9(18)1-2-10(11)14(26)22-4-3-13(25)24-12-5-8(16(19,20)21)7-23-15(12)27/h1-2,5-7H,3-4H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyNORKBRZNZOLXJN-UHFFFAOYSA-N
XLogP2.94
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.74
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide with MolForge

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Related Compounds

2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide
CID 55794854
2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide
CID 55759596
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55759108
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
5-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-pyrazole-3-carboxamide
CID 78902755
2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide
CID 78884701
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
CID 138578414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide (CID 55794760) is 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide?
The InChIKey is NORKBRZNZOLXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4N3O3/c17-11-6-9(18)1-2-10(11)14(26)22-4-3-13(25)24-12-5-8(16(19,20)21)7-23-15(12)27/h1-2,5-7H,3-4H2,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide?
2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide has a molecular weight of 405.74 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide is sourced from PubChem (CID 55794760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).