N-(3-fluorophenyl)-2-(4-methylanilino)propanamide

C16H17FN2O — CID 51242421

IUPACN-(3-fluorophenyl)-2-(4-methylanilino)propanamide
SMILESCc1ccc(NC(C)C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-11-6-8-14(9-7-11)18-12(2)16(20)19-15-5-3-4-13(17)10-15/h3-10,12,18H,1-2H3,(H,19,20)
InChIKeyPNCLRLCJWBBDHN-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.57
Rot. Bonds4

About N-(3-fluorophenyl)-2-(4-methylanilino)propanamide

N-(3-fluorophenyl)-2-(4-methylanilino)propanamide (PubChem CID 51242421) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-methylanilino)propanamide
PubChem CID51242421
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(3-fluorophenyl)-2-(4-methylanilino)propanamide
SMILESCc1ccc(NC(C)C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-11-6-8-14(9-7-11)18-12(2)16(20)19-15-5-3-4-13(17)10-15/h3-10,12,18H,1-2H3,(H,19,20)
InChIKeyPNCLRLCJWBBDHN-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

2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25354769
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25352661
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-methylanilino)propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-methylanilino)propanamide (CID 51242421) is N-(3-fluorophenyl)-2-(4-methylanilino)propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-methylanilino)propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-methylanilino)propanamide is Cc1ccc(NC(C)C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-methylanilino)propanamide?
The InChIKey is PNCLRLCJWBBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-6-8-14(9-7-11)18-12(2)16(20)19-15-5-3-4-13(17)10-15/h3-10,12,18H,1-2H3,(H,19,20).
What are the key properties of N-(3-fluorophenyl)-2-(4-methylanilino)propanamide?
N-(3-fluorophenyl)-2-(4-methylanilino)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 N-(3-fluorophenyl)-2-(4-methylanilino)propanamide is sourced from PubChem (CID 51242421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).