N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide

C16H16ClFN2O — CID 9079599

IUPACN-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
SMILESCc1ccc(C)c(NCC(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-3-4-11(2)15(7-10)19-9-16(21)20-14-6-5-12(18)8-13(14)17/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyBRULXCDKQOXBGF-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.15
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide

N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide (PubChem CID 9079599) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
PubChem CID9079599
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
SMILESCc1ccc(C)c(NCC(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-3-4-11(2)15(7-10)19-9-16(21)20-14-6-5-12(18)8-13(14)17/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyBRULXCDKQOXBGF-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)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-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
CID 51253129
methyl 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104381
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
1-(2-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)thiourea
CID 53489310
3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-ethyl-4-methylbenzamide
CID 55898253
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,5-dimethylanilino)acetamide
CID 30534293
2-(2-chloro-5-methylanilino)-N-(4-fluorophenyl)acetamide
CID 103768049
2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
CID 42026444
2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide (CID 9079599) is N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide is Cc1ccc(C)c(NCC(=O)Nc2ccc(F)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide?
The InChIKey is BRULXCDKQOXBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-3-4-11(2)15(7-10)19-9-16(21)20-14-6-5-12(18)8-13(14)17/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide has a molecular weight of 306.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide is sourced from PubChem (CID 9079599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).