N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide

C12H16ClNO2 — CID 143788152

IUPACN-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide
SMILESCC(=O)NC(CCCO)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(16)14-12(3-2-8-15)10-4-6-11(13)7-5-10/h4-7,12,15H,2-3,8H2,1H3,(H,14,16)
InChIKeyQPPAJFUVGZFNSX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.29
Rot. Bonds5

About N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide

N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide (PubChem CID 143788152) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide
PubChem CID143788152
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide
SMILESCC(=O)NC(CCCO)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(16)14-12(3-2-8-15)10-4-6-11(13)7-5-10/h4-7,12,15H,2-3,8H2,1H3,(H,14,16)
InChIKeyQPPAJFUVGZFNSX-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)pentyl]acetamide
CID 23652178
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide
CID 101478082
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
CID 67575764
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide (CID 143788152) is N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide is CC(=O)NC(CCCO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide?
The InChIKey is QPPAJFUVGZFNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(16)14-12(3-2-8-15)10-4-6-11(13)7-5-10/h4-7,12,15H,2-3,8H2,1H3,(H,14,16).
What are the key properties of N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide?
N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide has a molecular weight of 241.72 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide is sourced from PubChem (CID 143788152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).