2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide

C15H13Cl2FN2O — CID 9099592

IUPAC2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-9-2-5-14(12(17)6-9)20-15(21)8-19-10-3-4-13(18)11(16)7-10/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyXOMKQTFPJJJKDV-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.49
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide

2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 9099592) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID9099592
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-9-2-5-14(12(17)6-9)20-15(21)8-19-10-3-4-13(18)11(16)7-10/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyXOMKQTFPJJJKDV-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109011156
N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide
CID 78792966
2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9084577
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900
2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
CID 42026444
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide (CID 9099592) is 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is XOMKQTFPJJJKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-9-2-5-14(12(17)6-9)20-15(21)8-19-10-3-4-13(18)11(16)7-10/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide?
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 327.19 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 9099592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).