2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide

C12H17ClN2O3 — CID 168593187

IUPAC2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NCC(O)CO)ccc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-15(2)12(18)10-5-8(3-4-11(10)13)14-6-9(17)7-16/h3-5,9,14,16-17H,6-7H2,1-2H3
InChIKeyGZJPZERMXMQKID-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.81
Rot. Bonds5

About 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide

2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide (PubChem CID 168593187) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
PubChem CID168593187
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NCC(O)CO)ccc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-15(2)12(18)10-5-8(3-4-11(10)13)14-6-9(17)7-16/h3-5,9,14,16-17H,6-7H2,1-2H3
InChIKeyGZJPZERMXMQKID-UHFFFAOYSA-N
XLogP0.81
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide 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-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116500994
5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168597106
5-(2,3-dihydroxypropylamino)-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 168597134
2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide
CID 43709856
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
4-(2,3-dihydroxypropylamino)phthalic acid
CID 168596094
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
5-(2,3-dihydroxypropylamino)-2-fluorobenzoic acid
CID 168594042
2-bromo-5-(2,3-dihydroxypropylamino)benzoic acid
CID 168597373
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide (CID 168593187) is 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NCC(O)CO)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide?
The InChIKey is GZJPZERMXMQKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-15(2)12(18)10-5-8(3-4-11(10)13)14-6-9(17)7-16/h3-5,9,14,16-17H,6-7H2,1-2H3.
What are the key properties of 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide?
2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide has a molecular weight of 272.73 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 168593187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).