(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide

C16H17ClN2O2 — CID 104905306

IUPAC(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1cccc(Cl)c1NC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10-3-2-4-13(17)15(10)19-16(21)14(18)9-11-5-7-12(20)8-6-11/h2-8,14,20H,9,18H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyAPHCJCLJBCKLLE-CQSZACIVSA-N
MW304.78 g/mol
LogP2.86
Rot. Bonds4

About (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104905306) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104905306
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1cccc(Cl)c1NC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10-3-2-4-13(17)15(10)19-16(21)14(18)9-11-5-7-12(20)8-6-11/h2-8,14,20H,9,18H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyAPHCJCLJBCKLLE-CQSZACIVSA-N
XLogP2.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964
(2R)-2-amino-N-(2-fluoro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905619
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905272
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
(2S)-2-amino-N-(2-bromo-3-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 103479342
(2S)-2-amino-N-(3-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148914
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide
CID 61148146
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904678
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide (CID 104905306) is (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide is Cc1cccc(Cl)c1NC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is APHCJCLJBCKLLE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-3-2-4-13(17)15(10)19-16(21)14(18)9-11-5-7-12(20)8-6-11/h2-8,14,20H,9,18H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 304.78 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104905306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).