N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide

C16H15ClF2N2O — CID 109038664

IUPACN-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
SMILESCc1ccc(NC(=O)CCNc2c(F)cccc2F)cc1Cl
InChIInChI=1S/C16H15ClF2N2O/c1-10-5-6-11(9-12(10)17)21-15(22)7-8-20-16-13(18)3-2-4-14(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyGHSVKMLVUORWQV-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.37
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide

N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide (PubChem CID 109038664) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
PubChem CID109038664
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
SMILESCc1ccc(NC(=O)CCNc2c(F)cccc2F)cc1Cl
InChIInChI=1S/C16H15ClF2N2O/c1-10-5-6-11(9-12(10)17)21-15(22)7-8-20-16-13(18)3-2-4-14(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyGHSVKMLVUORWQV-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
methyl 3-[3-(3-chloro-4-methylanilino)propanoylamino]benzoate
CID 109038691
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide (CID 109038664) is N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide is Cc1ccc(NC(=O)CCNc2c(F)cccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide?
The InChIKey is GHSVKMLVUORWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c1-10-5-6-11(9-12(10)17)21-15(22)7-8-20-16-13(18)3-2-4-14(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide?
N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide has a molecular weight of 324.76 g/mol, XLogP of 4.37, 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-methylphenyl)-3-(2,6-difluoroanilino)propanamide is sourced from PubChem (CID 109038664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).