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

C16H17ClN2O2 — CID 104904678

IUPAC(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](N)Cc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-2-7-15(13(17)8-10)19-16(21)14(18)9-11-3-5-12(20)6-4-11/h2-8,14,20H,9,18H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyMVFMMYLCSXHXPC-CQSZACIVSA-N
MW304.78 g/mol
LogP2.86
Rot. Bonds4

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

(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104904678) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104904678
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](N)Cc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-2-7-15(13(17)8-10)19-16(21)14(18)9-11-3-5-12(20)6-4-11/h2-8,14,20H,9,18H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyMVFMMYLCSXHXPC-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-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
(2R)-2-amino-N-(4-bromo-2-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904692
2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892216
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904689
2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892554
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
(2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904807
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
(2S)-2-amino-N-(2-bromo-3-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 103479342
(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905306
(2S)-2-amino-N-(3-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148914
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide (CID 104904678) is (2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide is Cc1ccc(NC(=O)[C@H](N)Cc2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of (2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is MVFMMYLCSXHXPC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-2-7-15(13(17)8-10)19-16(21)14(18)9-11-3-5-12(20)6-4-11/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-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(2-chloro-4-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-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104904678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).