2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide

C20H22ClNO2 — CID 174332203

IUPAC2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide
SMILESC=Cc1ccccc1N(C)C(=O)C(Cl)C(CCO)c1ccccc1
InChIInChI=1S/C20H22ClNO2/c1-3-15-9-7-8-12-18(15)22(2)20(24)19(21)17(13-14-23)16-10-5-4-6-11-16/h3-12,17,19,23H,1,13-14H2,2H3
InChIKeyGOVHEOJAHALDDT-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.07
Rot. Bonds7

About 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide

2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide (PubChem CID 174332203) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide
PubChem CID174332203
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide
SMILESC=Cc1ccccc1N(C)C(=O)C(Cl)C(CCO)c1ccccc1
InChIInChI=1S/C20H22ClNO2/c1-3-15-9-7-8-12-18(15)22(2)20(24)19(21)17(13-14-23)16-10-5-4-6-11-16/h3-12,17,19,23H,1,13-14H2,2H3
InChIKeyGOVHEOJAHALDDT-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-N-methyl-2-phenyl-O-acetotoluidide
CID 3328631
3,4-Difluoro-beta-(2-hydroxyethyl)-N-methyl-N-phenylbenzenepropanamide
CID 54020928
(5R)-5-(hydroxymethyl)-1,4-diphenylpyrrolidin-2-one
CID 134999162
3-Chloro-5-methyl-1,4-diphenyl-3,4-dihydropyridin-2-one
CID 13045339
3,4-Dichloro-beta-(2-hydroxyethyl)-N-(4-chlorophenyl)-N-methylbenzenepropanamide
CID 19029310
5-(N-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 19029311
3,4-Dichloro-beta-(2-hydroxyethyl)-N-methyl-N-phenylbenzenepropanamide
CID 19029318
Beta-(2-hydroxyethyl)-N-methyl-N-phenylbenzenepropanamide
CID 19029331
N-(4-Chlorophenyl)-beta-(2-hydroxyethyl)-N-methyl-benzenepropanamide
CID 19029350
5-(4-chloro-N-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 19029362
3-[2-(N-methyl-4-chlorobenzamido)-phenyl]-propanol
CID 20546914
2-chloro-N-methyl-N,3-diphenylpropanamide
CID 66744921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide?
The IUPAC name of 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide (CID 174332203) is 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide.
What is the SMILES notation for 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide?
The canonical SMILES for 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide is C=Cc1ccccc1N(C)C(=O)C(Cl)C(CCO)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide?
The InChIKey is GOVHEOJAHALDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-3-15-9-7-8-12-18(15)22(2)20(24)19(21)17(13-14-23)16-10-5-4-6-11-16/h3-12,17,19,23H,1,13-14H2,2H3.
What are the key properties of 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide?
2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide has a molecular weight of 343.85 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethenylphenyl)-5-hydroxy-N-methyl-3-phenylpentanamide is sourced from PubChem (CID 174332203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).