2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide

C15H13ClF2N2O — CID 42026444

IUPAC2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cc(F)cc(F)c2)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O/c1-9-2-3-14(13(16)4-9)19-8-15(21)20-12-6-10(17)5-11(18)7-12/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyKRBAPKSMOWHDLM-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.98
Rot. Bonds4

About 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide

2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide (PubChem CID 42026444) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
PubChem CID42026444
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cc(F)cc(F)c2)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O/c1-9-2-3-14(13(16)4-9)19-8-15(21)20-12-6-10(17)5-11(18)7-12/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyKRBAPKSMOWHDLM-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-5-methylanilino)-N-(4-fluorophenyl)acetamide
CID 103768049
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
CID 16553113
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide
CID 26507654
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26417831
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide (CID 42026444) is 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide is Cc1ccc(NCC(=O)Nc2cc(F)cc(F)c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide?
The InChIKey is KRBAPKSMOWHDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-9-2-3-14(13(16)4-9)19-8-15(21)20-12-6-10(17)5-11(18)7-12/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide?
2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide has a molecular weight of 310.73 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 42026444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).