3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide

C16H16Cl2N2O — CID 80546727

IUPAC3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Cl)C(N)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-10(15(19)11-5-3-2-4-6-11)16(21)20-14-9-12(17)7-8-13(14)18/h2-10,15H,19H2,1H3,(H,20,21)
InChIKeyXGAWGAFCWBJJPX-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.27
Rot. Bonds4

About 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide

3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide (PubChem CID 80546727) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
PubChem CID80546727
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Cl)C(N)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-10(15(19)11-5-3-2-4-6-11)16(21)20-14-9-12(17)7-8-13(14)18/h2-10,15H,19H2,1H3,(H,20,21)
InChIKeyXGAWGAFCWBJJPX-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-chloro-N-ethylbenzamide
CID 119770119
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
3-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745654
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
CID 82747385
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide (CID 80546727) is 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide is CC(C(=O)Nc1cc(Cl)ccc1Cl)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide?
The InChIKey is XGAWGAFCWBJJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(15(19)11-5-3-2-4-6-11)16(21)20-14-9-12(17)7-8-13(14)18/h2-10,15H,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide has a molecular weight of 323.22 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 80546727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).