2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide

C17H19ClN2O — CID 142629828

IUPAC2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide
SMILESCC(Cc1ccccc1Cl)(c1ccccc1)C(N)C(N)=O
InChIInChI=1S/C17H19ClN2O/c1-17(15(19)16(20)21,13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)18/h2-10,15H,11,19H2,1H3,(H2,20,21)
InChIKeyFGBCTULNCQGSDC-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.65
Rot. Bonds5

About 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide

2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide (PubChem CID 142629828) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide
PubChem CID142629828
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide
SMILESCC(Cc1ccccc1Cl)(c1ccccc1)C(N)C(N)=O
InChIInChI=1S/C17H19ClN2O/c1-17(15(19)16(20)21,13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)18/h2-10,15H,11,19H2,1H3,(H2,20,21)
InChIKeyFGBCTULNCQGSDC-UHFFFAOYSA-N
XLogP2.65
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis[1-amino-2-[[1-(2-chlorophenyl)-2-phenylpropan-2-yl]amino]-2-oxoethyl] (Z)-but-2-enedioate
CID 67712439
(2R,3R)-3-amino-4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95383619
(2R,3S)-3-amino-4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95383620
4-(2-chlorophenyl)-3-hydroxy-2,2-dimethylbutanamide
CID 90691212
2-[(2-chlorophenyl)methyl]-2-fluoropropanedioic acid
CID 122239702
2-[(2-chlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83138130
(1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol
CID 67672937
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
tert-butyl (2S)-2-amino-3-(2-chlorophenyl)propanoate
CID 54222459
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221
3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one
CID 107311328
2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide (CID 142629828) is 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide is CC(Cc1ccccc1Cl)(c1ccccc1)C(N)C(N)=O.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide?
The InChIKey is FGBCTULNCQGSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(15(19)16(20)21,13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)18/h2-10,15H,11,19H2,1H3,(H2,20,21).
What are the key properties of 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide?
2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide has a molecular weight of 302.81 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 142629828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).