2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide

C15H20ClNO2 — CID 102866603

IUPAC2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(CCCO)C1CCC1
InChIInChI=1S/C15H20ClNO2/c16-13-7-5-12(6-8-13)11-15(19)17(9-2-10-18)14-3-1-4-14/h5-8,14,18H,1-4,9-11H2
InChIKeyIJWUECWHWLJYJD-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide

2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide (PubChem CID 102866603) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
PubChem CID102866603
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(CCCO)C1CCC1
InChIInChI=1S/C15H20ClNO2/c16-13-7-5-12(6-8-13)11-15(19)17(9-2-10-18)14-3-1-4-14/h5-8,14,18H,1-4,9-11H2
InChIKeyIJWUECWHWLJYJD-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide
CID 56670126
2-(4-Chlorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 2889061
3-(4-chlorophenyl)-N,N-diethylpropanamide
CID 340024
2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 25263457
2-(4-Chlorophenyl)-1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone
CID 91921838
1-[4-Acetyl-2-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
CID 44209567
2-(4-chlorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787585
[(3R*,4R*)-1-[(4-chlorophenyl)acetyl]-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72848907
2-(4-Chlorophenyl)-1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-YL]ethan-1-one
CID 124049926
4-chloro-N,N-diethylphenylacetamide
CID 4630299
2-(4-Chlorophenyl)-1-(pyrrolidin-1-yl)ethan-1-one
CID 5112377
3-[3-(4-Chlorophenyl)propanoyl-ethylamino]propanoic acid
CID 75428906

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide (CID 102866603) is 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide is O=C(Cc1ccc(Cl)cc1)N(CCCO)C1CCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is IJWUECWHWLJYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-7-5-12(6-8-13)11-15(19)17(9-2-10-18)14-3-1-4-14/h5-8,14,18H,1-4,9-11H2.
What are the key properties of 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide?
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 281.78 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 102866603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).