N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide

C16H16ClFN2O — CID 109038643

IUPACN-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
SMILESCc1ccc(NC(=O)CCNc2cccc(F)c2)cc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-11-5-6-14(10-15(11)17)20-16(21)7-8-19-13-4-2-3-12(18)9-13/h2-6,9-10,19H,7-8H2,1H3,(H,20,21)
InChIKeyQFHGOLVJAODLKP-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.23
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide

N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide (PubChem CID 109038643) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
PubChem CID109038643
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
SMILESCc1ccc(NC(=O)CCNc2cccc(F)c2)cc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-11-5-6-14(10-15(11)17)20-16(21)7-8-19-13-4-2-3-12(18)9-13/h2-6,9-10,19H,7-8H2,1H3,(H,20,21)
InChIKeyQFHGOLVJAODLKP-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
methyl 3-[3-(3-chloro-4-methylanilino)propanoylamino]benzoate
CID 109038691
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide (CID 109038643) is N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide is Cc1ccc(NC(=O)CCNc2cccc(F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide?
The InChIKey is QFHGOLVJAODLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-11-5-6-14(10-15(11)17)20-16(21)7-8-19-13-4-2-3-12(18)9-13/h2-6,9-10,19H,7-8H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide?
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide has a molecular weight of 306.77 g/mol, XLogP of 4.23, 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-(3-fluoroanilino)propanamide is sourced from PubChem (CID 109038643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).