2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide

C13H19ClN2O2 — CID 110281459

IUPAC2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide
SMILESCN(C)CC(O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-16(2)9-12(17)8-15-13(18)7-10-3-5-11(14)6-4-10/h3-6,12,17H,7-9H2,1-2H3,(H,15,18)
InChIKeySVFHDKUOTSMCGV-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.92
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide

2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide (PubChem CID 110281459) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide
PubChem CID110281459
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide
SMILESCN(C)CC(O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-16(2)9-12(17)8-15-13(18)7-10-3-5-11(14)6-4-10/h3-6,12,17H,7-9H2,1-2H3,(H,15,18)
InChIKeySVFHDKUOTSMCGV-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide
CID 125438904
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220451
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 26834501
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-chlorophenyl)acetamide
CID 52505208
N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide
CID 131843314
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 166903417
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid
CID 65218537
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide (CID 110281459) is 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide is CN(C)CC(O)CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide?
The InChIKey is SVFHDKUOTSMCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16(2)9-12(17)8-15-13(18)7-10-3-5-11(14)6-4-10/h3-6,12,17H,7-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide?
2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide has a molecular weight of 270.76 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 110281459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).