2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide

C14H11ClF2N2O — CID 9098972

IUPAC2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2N2O/c15-9-1-3-10(4-2-9)18-8-14(20)19-11-5-6-12(16)13(17)7-11/h1-7,18H,8H2,(H,19,20)
InChIKeyKQNQYUKEGBZJKK-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide

2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide (PubChem CID 9098972) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
PubChem CID9098972
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2N2O/c15-9-1-3-10(4-2-9)18-8-14(20)19-11-5-6-12(16)13(17)7-11/h1-7,18H,8H2,(H,19,20)
InChIKeyKQNQYUKEGBZJKK-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 47313465
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
2-(3-chloro-5-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 107365048
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide (CID 9098972) is 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide is O=C(CNc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is KQNQYUKEGBZJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c15-9-1-3-10(4-2-9)18-8-14(20)19-11-5-6-12(16)13(17)7-11/h1-7,18H,8H2,(H,19,20).
What are the key properties of 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide?
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 296.70 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 9098972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).