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

C15H13ClF2N2O — CID 9102939

IUPAC2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCc1ccc(Cl)cc1NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-9-2-3-10(16)6-14(9)19-8-15(21)20-11-4-5-12(17)13(18)7-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyHRRCXBNXYQGAGH-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.98
Rot. Bonds4

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

2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide (PubChem CID 9102939) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
PubChem CID9102939
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCc1ccc(Cl)cc1NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-9-2-3-10(16)6-14(9)19-8-15(21)20-11-4-5-12(17)13(18)7-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyHRRCXBNXYQGAGH-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-(5-chloro-2-methylanilino)-N-(3,4-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

N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(5-chloro-2-methylphenyl)-2-(2,3-difluoroanilino)acetamide
CID 61075932
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide (CID 9102939) is 2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide is Cc1ccc(Cl)cc1NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is HRRCXBNXYQGAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-9-2-3-10(16)6-14(9)19-8-15(21)20-11-4-5-12(17)13(18)7-11/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide?
2-(5-chloro-2-methylanilino)-N-(3,4-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-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 9102939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).