2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide

C15H23ClN2O3 — CID 168639161

IUPAC2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccccc1NCC(O)CCl
InChIInChI=1S/C15H23ClN2O3/c1-2-21-9-5-8-17-15(20)13-6-3-4-7-14(13)18-11-12(19)10-16/h3-4,6-7,12,18-19H,2,5,8-11H2,1H3,(H,17,20)
InChIKeyXNKNNXJNGOAMHO-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.85
Rot. Bonds10

About 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide

2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide (PubChem CID 168639161) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide
PubChem CID168639161
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccccc1NCC(O)CCl
InChIInChI=1S/C15H23ClN2O3/c1-2-21-9-5-8-17-15(20)13-6-3-4-7-14(13)18-11-12(19)10-16/h3-4,6-7,12,18-19H,2,5,8-11H2,1H3,(H,17,20)
InChIKeyXNKNNXJNGOAMHO-UHFFFAOYSA-N
XLogP1.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide 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

2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methoxyethyl)-2-methylbenzamide
CID 168637570
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962
2-methoxyethyl N-[[2-[(3-chloro-2-hydroxypropyl)amino]benzoyl]amino]carbamate
CID 168639683
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312166
2-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 55047330
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 168638648
N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 17311471

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide (CID 168639161) is 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccccc1NCC(O)CCl.
What is the InChIKey of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide?
The InChIKey is XNKNNXJNGOAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-2-21-9-5-8-17-15(20)13-6-3-4-7-14(13)18-11-12(19)10-16/h3-4,6-7,12,18-19H,2,5,8-11H2,1H3,(H,17,20).
What are the key properties of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide?
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide has a molecular weight of 314.81 g/mol, XLogP of 1.85, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 168639161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).