2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide

C17H19FN2O — CID 51167745

IUPAC2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
SMILESCc1ccc(NC(C)C(=O)Nc2ccccc2F)cc1C
InChIInChI=1S/C17H19FN2O/c1-11-8-9-14(10-12(11)2)19-13(3)17(21)20-16-7-5-4-6-15(16)18/h4-10,13,19H,1-3H3,(H,20,21)
InChIKeyCSHFPYWKBYGRNR-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.88
Rot. Bonds4

About 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide

2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide (PubChem CID 51167745) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
PubChem CID51167745
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
SMILESCc1ccc(NC(C)C(=O)Nc2ccccc2F)cc1C
InChIInChI=1S/C17H19FN2O/c1-11-8-9-14(10-12(11)2)19-13(3)17(21)20-16-7-5-4-6-15(16)18/h4-10,13,19H,1-3H3,(H,20,21)
InChIKeyCSHFPYWKBYGRNR-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
CID 25346916
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 18280724
2-(3,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 78666889
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
1-(3,4-dimethylphenyl)-3-(2-fluorophenyl)thiourea
CID 977185
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide (CID 51167745) is 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide is Cc1ccc(NC(C)C(=O)Nc2ccccc2F)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide?
The InChIKey is CSHFPYWKBYGRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-8-9-14(10-12(11)2)19-13(3)17(21)20-16-7-5-4-6-15(16)18/h4-10,13,19H,1-3H3,(H,20,21).
What are the key properties of 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide?
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide has a molecular weight of 286.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 51167745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).