(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide

C24H25ClN2O — CID 9307161

IUPAC(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@H](N[C@@H](C)c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C24H25ClN2O/c1-16-13-14-17(2)22(15-16)27-24(28)23(19-9-5-4-6-10-19)26-18(3)20-11-7-8-12-21(20)25/h4-15,18,23,26H,1-3H3,(H,27,28)/t18-,23+/m0/s1
InChIKeyTUFNMMZMMJNVLF-FDDCHVKYSA-N
MW392.93 g/mol
LogP5.99
Rot. Bonds6

About (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide

(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide (PubChem CID 9307161) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
PubChem CID9307161
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@H](N[C@@H](C)c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C24H25ClN2O/c1-16-13-14-17(2)22(15-16)27-24(28)23(19-9-5-4-6-10-19)26-18(3)20-11-7-8-12-21(20)25/h4-15,18,23,26H,1-3H3,(H,27,28)/t18-,23+/m0/s1
InChIKeyTUFNMMZMMJNVLF-FDDCHVKYSA-N
XLogP5.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119
N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide
CID 112797202
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 9356593
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]-2-phenylacetamide
CID 7928830
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylanilino)-2-phenylacetamide
CID 7928697
2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 4931956
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 95775664
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90623953

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide (CID 9307161) is (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide is Cc1ccc(C)c(NC(=O)[C@H](N[C@@H](C)c2ccccc2Cl)c2ccccc2)c1.
What is the InChIKey of (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The InChIKey is TUFNMMZMMJNVLF-FDDCHVKYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-16-13-14-17(2)22(15-16)27-24(28)23(19-9-5-4-6-10-19)26-18(3)20-11-7-8-12-21(20)25/h4-15,18,23,26H,1-3H3,(H,27,28)/t18-,23+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide has a molecular weight of 392.93 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 9307161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).