3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide

C16H16F2N2O — CID 109034608

IUPAC3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCNc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c1-20(13-5-3-2-4-6-13)16(21)9-10-19-15-8-7-12(17)11-14(15)18/h2-8,11,19H,9-10H2,1H3
InChIKeyUDGCQHQOLHORPV-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.43
Rot. Bonds5

About 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide

3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide (PubChem CID 109034608) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide
PubChem CID109034608
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCNc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c1-20(13-5-3-2-4-6-13)16(21)9-10-19-15-8-7-12(17)11-14(15)18/h2-8,11,19H,9-10H2,1H3
InChIKeyUDGCQHQOLHORPV-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 109034616
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
5-(2,4-difluoroanilino)pentan-2-one
CID 115236220
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109042099
3-(2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036753
1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981020
methyl 4-(2,4-difluoroanilino)butanoate
CID 43377916
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019551

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide (CID 109034608) is 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide is CN(C(=O)CCNc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide?
The InChIKey is UDGCQHQOLHORPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-20(13-5-3-2-4-6-13)16(21)9-10-19-15-8-7-12(17)11-14(15)18/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide?
3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide has a molecular weight of 290.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 109034608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).