N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide

C17H18ClNO2 — CID 164740573

IUPACN-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide
SMILESCC(O)(c1ccccc1)C(Cl)CNC(=O)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-17(21,14-10-6-3-7-11-14)15(18)12-19-16(20)13-8-4-2-5-9-13/h2-11,15,21H,12H2,1H3,(H,19,20)
InChIKeyIXABGFQJOVBXIS-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.93
Rot. Bonds5

About N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide

N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide (PubChem CID 164740573) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide
PubChem CID164740573
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide
SMILESCC(O)(c1ccccc1)C(Cl)CNC(=O)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-17(21,14-10-6-3-7-11-14)15(18)12-19-16(20)13-8-4-2-5-9-13/h2-11,15,21H,12H2,1H3,(H,19,20)
InChIKeyIXABGFQJOVBXIS-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
CID 110309389
4-benzamido-3-methylbutanoic acid
CID 81064617
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
(2S,3S)-2-(benzamidomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 68982145
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide?
The IUPAC name of N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide (CID 164740573) is N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide.
What is the SMILES notation for N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide?
The canonical SMILES for N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide is CC(O)(c1ccccc1)C(Cl)CNC(=O)c1ccccc1.
What is the InChIKey of N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide?
The InChIKey is IXABGFQJOVBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(21,14-10-6-3-7-11-14)15(18)12-19-16(20)13-8-4-2-5-9-13/h2-11,15,21H,12H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide?
N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide has a molecular weight of 303.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide is sourced from PubChem (CID 164740573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).