(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide

C16H16Cl2N2O — CID 61148146

IUPAC(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(Cl)c(NC(=O)[C@@H](N)Cc2ccccc2)c1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-10-7-8-12(17)15(14(10)18)20-16(21)13(19)9-11-5-3-2-4-6-11/h2-8,13H,9,19H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyAQVBMAQLWKKADS-ZDUSSCGKSA-N
MW323.22 g/mol
LogP3.81
Rot. Bonds4

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

(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide (PubChem CID 61148146) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide
PubChem CID61148146
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(Cl)c(NC(=O)[C@@H](N)Cc2ccccc2)c1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-10-7-8-12(17)15(14(10)18)20-16(21)13(19)9-11-5-3-2-4-6-11/h2-8,13H,9,19H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyAQVBMAQLWKKADS-ZDUSSCGKSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905306
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide
CID 83072762
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 61252081
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide (CID 61148146) is (2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide is Cc1ccc(Cl)c(NC(=O)[C@@H](N)Cc2ccccc2)c1Cl.
What is the InChIKey of (2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide?
The InChIKey is AQVBMAQLWKKADS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10-7-8-12(17)15(14(10)18)20-16(21)13(19)9-11-5-3-2-4-6-11/h2-8,13H,9,19H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide has a molecular weight of 323.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 61148146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).