(3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide

C12H16ClNO3 — CID 97246482

IUPAC(3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide
SMILESCC(C)[C@H](O)CC(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C12H16ClNO3/c1-7(2)10(15)6-11(16)14-9-5-3-4-8(13)12(9)17/h3-5,7,10,15,17H,6H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyCMZRULRXKHBISE-SNVBAGLBSA-N
MW257.72 g/mol
LogP2.39
Rot. Bonds4

About (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide

(3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide (PubChem CID 97246482) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide
PubChem CID97246482
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name(3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide
SMILESCC(C)[C@H](O)CC(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C12H16ClNO3/c1-7(2)10(15)6-11(16)14-9-5-3-4-8(13)12(9)17/h3-5,7,10,15,17H,6H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyCMZRULRXKHBISE-SNVBAGLBSA-N
XLogP2.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
N-(3-chloro-2-methylphenyl)-3-methoxybutanamide
CID 47091350
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 60663281
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
2-chloro-6-(3,5-dimethylanilino)phenol
CID 171920442
1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
CID 174595887
methyl 2-hydroxy-3-(3-methylbutanoylamino)benzoate
CID 108768054
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362554
(2S)-4-(3-chloro-2-methylanilino)-2-[[(2S)-2-hydroxypropyl]amino]-4-oxobutanoic acid
CID 7591713

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide?
The IUPAC name of (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide (CID 97246482) is (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide.
What is the SMILES notation for (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide?
The canonical SMILES for (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide is CC(C)[C@H](O)CC(=O)Nc1cccc(Cl)c1O.
What is the InChIKey of (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide?
The InChIKey is CMZRULRXKHBISE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-7(2)10(15)6-11(16)14-9-5-3-4-8(13)12(9)17/h3-5,7,10,15,17H,6H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide?
(3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide has a molecular weight of 257.72 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-2-hydroxyphenyl)-3-hydroxy-4-methylpentanamide is sourced from PubChem (CID 97246482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).