N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide

C16H15Cl2FN2O — CID 109038437

IUPACN-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2O/c1-10-2-3-11(17)8-15(10)20-7-6-16(22)21-12-4-5-14(19)13(18)9-12/h2-5,8-9,20H,6-7H2,1H3,(H,21,22)
InChIKeyFLUWAFSJOFHVMY-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.88
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide

N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide (PubChem CID 109038437) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
PubChem CID109038437
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15Cl2FN2O/c1-10-2-3-11(17)8-15(10)20-7-6-16(22)21-12-4-5-14(19)13(18)9-12/h2-5,8-9,20H,6-7H2,1H3,(H,21,22)
InChIKeyFLUWAFSJOFHVMY-UHFFFAOYSA-N
XLogP4.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
N-(3-chloro-4-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109038794
3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037695
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide (CID 109038437) is N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide is Cc1ccc(Cl)cc1NCCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide?
The InChIKey is FLUWAFSJOFHVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c1-10-2-3-11(17)8-15(10)20-7-6-16(22)21-12-4-5-14(19)13(18)9-12/h2-5,8-9,20H,6-7H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide has a molecular weight of 341.21 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide is sourced from PubChem (CID 109038437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).