N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide

C17H18ClNO2 — CID 110024296

IUPACN-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12-8-9-14(18)10-15(12)19-16(20)11-17(2,21)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyCMWLMILFPKBRQX-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.88
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide

N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide (PubChem CID 110024296) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
PubChem CID110024296
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12-8-9-14(18)10-15(12)19-16(20)11-17(2,21)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyCMWLMILFPKBRQX-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
CID 110025284
5-(5-chloro-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 5070588
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081845
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide (CID 110024296) is N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide is Cc1ccc(Cl)cc1NC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is CMWLMILFPKBRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-8-9-14(18)10-15(12)19-16(20)11-17(2,21)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide?
N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 303.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110024296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).