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

C16H17FN2O — CID 46757746

IUPAC2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O/c1-11-4-3-5-15(10-11)19-16(20)12(2)18-14-8-6-13(17)7-9-14/h3-10,12,18H,1-2H3,(H,19,20)
InChIKeyZOQZIGWDQSEBJK-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.57
Rot. Bonds4

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

2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide (PubChem CID 46757746) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
PubChem CID46757746
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O/c1-11-4-3-5-15(10-11)19-16(20)12(2)18-14-8-6-13(17)7-9-14/h3-10,12,18H,1-2H3,(H,19,20)
InChIKeyZOQZIGWDQSEBJK-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46747357
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide (CID 46757746) is 2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is ZOQZIGWDQSEBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-4-3-5-15(10-11)19-16(20)12(2)18-14-8-6-13(17)7-9-14/h3-10,12,18H,1-2H3,(H,19,20).
What are the key properties of 2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide?
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 272.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 46757746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).