4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide

C18H21ClN2O2 — CID 168637234

IUPAC4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NCC(O)CCl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-2-21(16-6-4-3-5-7-16)18(23)14-8-10-15(11-9-14)20-13-17(22)12-19/h3-11,17,20,22H,2,12-13H2,1H3
InChIKeyPNZGUTWOALLKCQ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.36
Rot. Bonds7

About 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide

4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide (PubChem CID 168637234) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide
PubChem CID168637234
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(NCC(O)CCl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-2-21(16-6-4-3-5-7-16)18(23)14-8-10-15(11-9-14)20-13-17(22)12-19/h3-11,17,20,22H,2,12-13H2,1H3
InChIKeyPNZGUTWOALLKCQ-UHFFFAOYSA-N
XLogP3.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
ethyl 4-[(3-chloro-2-hydroxypropyl)amino]benzoate
CID 168600820
4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
CID 54812803
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838181
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
CID 168637498

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide (CID 168637234) is 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(NCC(O)CCl)cc1)c1ccccc1.
What is the InChIKey of 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is PNZGUTWOALLKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-21(16-6-4-3-5-7-16)18(23)14-8-10-15(11-9-14)20-13-17(22)12-19/h3-11,17,20,22H,2,12-13H2,1H3.
What are the key properties of 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide?
4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 332.83 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 168637234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).