4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide

C11H13ClN2O3 — CID 86127855

IUPAC4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide
SMILESO=C(CO)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3/c12-9-3-1-8(2-4-9)11(17)14-6-5-13-10(16)7-15/h1-4,15H,5-7H2,(H,13,16)(H,14,17)
InChIKeyHIHHCFAOYNEJPM-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.18
Rot. Bonds5

About 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide

4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide (PubChem CID 86127855) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide
PubChem CID86127855
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide
SMILESO=C(CO)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3/c12-9-3-1-8(2-4-9)11(17)14-6-5-13-10(16)7-15/h1-4,15H,5-7H2,(H,13,16)(H,14,17)
InChIKeyHIHHCFAOYNEJPM-UHFFFAOYSA-N
XLogP0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.18
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

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CID 4235
N-(4-Chlorobenzoyl)glycine
CID 26009
3-[(4-chlorobenzoyl)amino]propanoic Acid
CID 1235725
N-benzyl-4-chlorobenzamide
CID 346668
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
1-(3-Chlorobenzoyl)piperazine
CID 1074765
4-Chloro-N-phenethylbenzamide
CID 306479
2-[(3-Chlorophenyl)formamido]acetic acid
CID 448
4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide
CID 403373
4-Chloro-N-(2-hydroxyethyl)benzamide
CID 233979
N-(2-amino-2-oxoethyl)-4-chlorobenzamide
CID 350021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide (CID 86127855) is 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide is O=C(CO)NCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide?
The InChIKey is HIHHCFAOYNEJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-3-1-8(2-4-9)11(17)14-6-5-13-10(16)7-15/h1-4,15H,5-7H2,(H,13,16)(H,14,17).
What are the key properties of 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide?
4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide has a molecular weight of 256.69 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2-hydroxyacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 86127855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).