2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide

C11H15ClN2O2 — CID 168640662

IUPAC2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(O)CCl
InChIInChI=1S/C11H15ClN2O2/c1-13-11(16)9-4-2-3-5-10(9)14-7-8(15)6-12/h2-5,8,14-15H,6-7H2,1H3,(H,13,16)
InChIKeyGRDKGMFYEOGRJH-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.06
Rot. Bonds5

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

2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide (PubChem CID 168640662) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
PubChem CID168640662
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(O)CCl
InChIInChI=1S/C11H15ClN2O2/c1-13-11(16)9-4-2-3-5-10(9)14-7-8(15)6-12/h2-5,8,14-15H,6-7H2,1H3,(H,13,16)
InChIKeyGRDKGMFYEOGRJH-UHFFFAOYSA-N
XLogP1.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide 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]phenyl]-(4-fluorophenyl)methanone
CID 168640641
[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-methylphenyl)methanone
CID 168640456
2-[(3-chloro-2-hydroxypropyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 168638648
2-methoxyethyl N-[[2-[(3-chloro-2-hydroxypropyl)amino]benzoyl]amino]carbamate
CID 168639683
2-methylpropyl 2-[(3-chloro-2-hydroxypropyl)amino]benzoate
CID 168636561
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide
CID 168639161
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 168640663
N-methyl-2-(prop-2-ynylamino)benzamide
CID 130634693
[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 168639993
methyl 3-[(3-chloro-2-hydroxypropyl)amino]-2-phenylbenzoate
CID 168639894
1-[2-(N-anilino-C-methylcarbonimidoyl)anilino]-3-chloropropan-2-ol
CID 168640514
ethyl 3-[(3-chloro-2-hydroxypropyl)amino]-2-methylbenzoate
CID 168636432

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide?
The IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide (CID 168640662) is 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide?
The canonical SMILES for 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide is CNC(=O)c1ccccc1NCC(O)CCl.
What is the InChIKey of 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide?
The InChIKey is GRDKGMFYEOGRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-13-11(16)9-4-2-3-5-10(9)14-7-8(15)6-12/h2-5,8,14-15H,6-7H2,1H3,(H,13,16).
What are the key properties of 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide?
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide has a molecular weight of 242.71 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide is sourced from PubChem (CID 168640662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).