N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide

C13H18ClNO2 — CID 81354657

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-9(16)3-8-13(17)15-10(2)11-4-6-12(14)7-5-11/h4-7,9-10,16H,3,8H2,1-2H3,(H,15,17)/t9?,10-/m0/s1
InChIKeyAFEXTWIXIQJXOX-AXDSSHIGSA-N
MW255.75 g/mol
LogP2.68
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide (PubChem CID 81354657) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
PubChem CID81354657
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-9(16)3-8-13(17)15-10(2)11-4-6-12(14)7-5-11/h4-7,9-10,16H,3,8H2,1-2H3,(H,15,17)/t9?,10-/m0/s1
InChIKeyAFEXTWIXIQJXOX-AXDSSHIGSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
sodium 4-[1-(4-chlorophenyl)ethylamino]-4-oxobutanoate
CID 154832871
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
ethyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-4-oxobutanoate
CID 81356588

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide (CID 81354657) is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide is CC(O)CCC(=O)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide?
The InChIKey is AFEXTWIXIQJXOX-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(16)3-8-13(17)15-10(2)11-4-6-12(14)7-5-11/h4-7,9-10,16H,3,8H2,1-2H3,(H,15,17)/t9?,10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide has a molecular weight of 255.75 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide is sourced from PubChem (CID 81354657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).