3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide

C16H17FN2O — CID 109034353

IUPAC3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O/c1-12-6-8-13(9-7-12)19-16(20)10-11-18-15-5-3-2-4-14(15)17/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyLMUCSIYKZUETQK-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.57
Rot. Bonds5

About 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide

3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide (PubChem CID 109034353) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
PubChem CID109034353
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNc2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O/c1-12-6-8-13(9-7-12)19-16(20)10-11-18-15-5-3-2-4-14(15)17/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyLMUCSIYKZUETQK-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
N-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
CID 44596231
N-(3,4-dimethylphenyl)-3-(2-methylanilino)propanamide
CID 109034069
3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide
CID 109034349
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide (CID 109034353) is 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCNc2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is LMUCSIYKZUETQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12-6-8-13(9-7-12)19-16(20)10-11-18-15-5-3-2-4-14(15)17/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide?
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 272.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 109034353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).