3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide

C16H16F2N2O — CID 82801709

IUPAC3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(F)c(NC(=O)CC(N)c2ccccc2)c1F
InChIInChI=1S/C16H16F2N2O/c1-10-7-8-12(17)16(15(10)18)20-14(21)9-13(19)11-5-3-2-4-6-11/h2-8,13H,9,19H2,1H3,(H,20,21)
InChIKeyHMTZGHURPFVUTG-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.30
Rot. Bonds4

About 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide

3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide (PubChem CID 82801709) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide
PubChem CID82801709
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(F)c(NC(=O)CC(N)c2ccccc2)c1F
InChIInChI=1S/C16H16F2N2O/c1-10-7-8-12(17)16(15(10)18)20-14(21)9-13(19)11-5-3-2-4-6-11/h2-8,13H,9,19H2,1H3,(H,20,21)
InChIKeyHMTZGHURPFVUTG-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282
4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
CID 82819149
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide
CID 82819991
3-[(3-amino-3-phenylpropanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119949954

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide (CID 82801709) is 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide is Cc1ccc(F)c(NC(=O)CC(N)c2ccccc2)c1F.
What is the InChIKey of 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide?
The InChIKey is HMTZGHURPFVUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-7-8-12(17)16(15(10)18)20-14(21)9-13(19)11-5-3-2-4-6-11/h2-8,13H,9,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide?
3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide has a molecular weight of 290.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 82801709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).