2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide

C12H15ClN2O3 — CID 43392696

IUPAC2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCCO
InChIInChI=1S/C12H15ClN2O3/c13-10-5-2-1-4-9(10)12(18)15-8-11(17)14-6-3-7-16/h1-2,4-5,16H,3,6-8H2,(H,14,17)(H,15,18)
InChIKeyOAHBUTXFIMJHGU-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.57
Rot. Bonds6

About 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide

2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide (PubChem CID 43392696) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
PubChem CID43392696
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCCO
InChIInChI=1S/C12H15ClN2O3/c13-10-5-2-1-4-9(10)12(18)15-8-11(17)14-6-3-7-16/h1-2,4-5,16H,3,6-8H2,(H,14,17)(H,15,18)
InChIKeyOAHBUTXFIMJHGU-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide
CID 38335877
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
tert-butyl N-[2-[3-[(2-chlorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918701
2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
CID 42572414
2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79468883
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide (CID 43392696) is 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NCCCO.
What is the InChIKey of 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide?
The InChIKey is OAHBUTXFIMJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-10-5-2-1-4-9(10)12(18)15-8-11(17)14-6-3-7-16/h1-2,4-5,16H,3,6-8H2,(H,14,17)(H,15,18).
What are the key properties of 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide?
2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide has a molecular weight of 270.72 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 43392696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).