3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide

C18H20ClNO2 — CID 174381619

IUPAC3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide
SMILESCNC(=O)C(c1ccccc1)(c1ccccc1)C(Cl)CCO
InChIInChI=1S/C18H20ClNO2/c1-20-17(22)18(16(19)12-13-21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,21H,12-13H2,1H3,(H,20,22)
InChIKeyTVDFEPITIIRSGH-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.71
Rot. Bonds6

About 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide

3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide (PubChem CID 174381619) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide.

Molecular Properties

Compound Name3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide
PubChem CID174381619
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide
SMILESCNC(=O)C(c1ccccc1)(c1ccccc1)C(Cl)CCO
InChIInChI=1S/C18H20ClNO2/c1-20-17(22)18(16(19)12-13-21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,21H,12-13H2,1H3,(H,20,22)
InChIKeyTVDFEPITIIRSGH-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.71
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

3-bromo-N,2-dimethyl-2-phenylpropanamide
CID 154114907
2-chloro-2-fluoro-N-methyl-2-phenylacetamide
CID 131086216
methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
CID 171833084
3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
CID 106275818
(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
CID 154356432
2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
CID 139725286
N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide
CID 164740573
N-methyl-2,2-diphenyl-2-[(2-phenylacetyl)amino]acetamide
CID 10338453
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
6-methyl-2,2-diphenylheptanoic acid
CID 141362939
(3S)-3-(methylamino)-3-phenylbutan-1-ol
CID 174606710
N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide
CID 110025916

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide?
The IUPAC name of 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide (CID 174381619) is 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide.
What is the SMILES notation for 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide?
The canonical SMILES for 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide is CNC(=O)C(c1ccccc1)(c1ccccc1)C(Cl)CCO.
What is the InChIKey of 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide?
The InChIKey is TVDFEPITIIRSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-20-17(22)18(16(19)12-13-21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,21H,12-13H2,1H3,(H,20,22).
What are the key properties of 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide?
3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide has a molecular weight of 317.82 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide is sourced from PubChem (CID 174381619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).