4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide

C11H15ClN2O2 — CID 3082615

IUPAC4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
SMILESO=C(NCCNCCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c12-10-3-1-9(2-4-10)11(16)14-6-5-13-7-8-15/h1-4,13,15H,5-8H2,(H,14,16)
InChIKeySPHJOGBBUGIRAM-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.65
Rot. Bonds6

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

4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide (PubChem CID 3082615) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
PubChem CID3082615
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
SMILESO=C(NCCNCCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c12-10-3-1-9(2-4-10)11(16)14-6-5-13-7-8-15/h1-4,13,15H,5-8H2,(H,14,16)
InChIKeySPHJOGBBUGIRAM-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.65
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-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
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N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
2-[(4-chlorobenzoyl)amino]ethylazanium chloride
CID 43834591
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
1-[2-(4-chlorophenyl)-2-oxoethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide
CID 2313031
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 175851417
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide (CID 3082615) is 4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide is O=C(NCCNCCO)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide?
The InChIKey is SPHJOGBBUGIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-10-3-1-9(2-4-10)11(16)14-6-5-13-7-8-15/h1-4,13,15H,5-8H2,(H,14,16).
What are the key properties of 4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide?
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide has a molecular weight of 242.71 g/mol, XLogP of 0.65, 6 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-hydroxyethylamino)ethyl]benzamide is sourced from PubChem (CID 3082615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).