3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide

C16H15ClF2N2O — CID 109038491

IUPAC3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H15ClF2N2O/c1-10-5-6-11(17)9-14(10)20-8-7-15(22)21-16-12(18)3-2-4-13(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyWQWFWWLHMGXGQC-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.37
Rot. Bonds5

About 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide

3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide (PubChem CID 109038491) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
PubChem CID109038491
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC Name3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCc1ccc(Cl)cc1NCCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H15ClF2N2O/c1-10-5-6-11(17)9-14(10)20-8-7-15(22)21-16-12(18)3-2-4-13(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyWQWFWWLHMGXGQC-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

3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
3-(4-bromo-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042234
2-(5-chloro-2-fluoroanilino)-N-(2,6-difluorophenyl)acetamide
CID 43408880
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
N-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide (CID 109038491) is 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide is Cc1ccc(Cl)cc1NCCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is WQWFWWLHMGXGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c1-10-5-6-11(17)9-14(10)20-8-7-15(22)21-16-12(18)3-2-4-13(16)19/h2-6,9,20H,7-8H2,1H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide?
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)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 3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 109038491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).