2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide

C16H12ClF3N2O2 — CID 55753021

IUPAC2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12ClF3N2O2/c17-12-7-9(18)1-3-11(12)16(24)21-6-5-15(23)22-14-4-2-10(19)8-13(14)20/h1-4,7-8H,5-6H2,(H,21,24)(H,22,23)
InChIKeyFSUDFISZHJDDNP-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.52
Rot. Bonds5

About 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide

2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide (PubChem CID 55753021) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
PubChem CID55753021
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12ClF3N2O2/c17-12-7-9(18)1-3-11(12)16(24)21-6-5-15(23)22-14-4-2-10(19)8-13(14)20/h1-4,7-8H,5-6H2,(H,21,24)(H,22,23)
InChIKeyFSUDFISZHJDDNP-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
2-chloro-4-fluoro-N-[3-oxo-3-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propyl]benzamide
CID 55794760
2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55759108
2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide
CID 55759596
N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide
CID 38764774
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 17499617
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide
CID 55956277
2-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]-1,3-thiazole-5-carboxamide
CID 78884701
4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide (CID 55753021) is 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is FSUDFISZHJDDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-12-7-9(18)1-3-11(12)16(24)21-6-5-15(23)22-14-4-2-10(19)8-13(14)20/h1-4,7-8H,5-6H2,(H,21,24)(H,22,23).
What are the key properties of 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide?
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 356.73 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 55753021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).