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

C12H17ClN2O3 — CID 168597106

IUPAC5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Cl)ccc1NCC(O)CO
InChIInChI=1S/C12H17ClN2O3/c1-15(2)12(18)10-5-8(13)3-4-11(10)14-6-9(17)7-16/h3-5,9,14,16-17H,6-7H2,1-2H3
InChIKeyMKNYDGVHTFPVSZ-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.81
Rot. Bonds5

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

5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide (PubChem CID 168597106) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
PubChem CID168597106
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Cl)ccc1NCC(O)CO
InChIInChI=1S/C12H17ClN2O3/c1-15(2)12(18)10-5-8(13)3-4-11(10)14-6-9(17)7-16/h3-5,9,14,16-17H,6-7H2,1-2H3
InChIKeyMKNYDGVHTFPVSZ-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

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Related Compounds

5-chloro-2-(2,3-dihydroxypropylamino)benzamide
CID 168593745
2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168593187
2-[4-chloro-2-(dimethylcarbamoyl)anilino]propanoic acid
CID 91063152
5-chloro-2-[(3-chloro-2-hydroxypropyl)amino]benzoic acid
CID 168640956
3-(2-amino-4-chloroanilino)propane-1,2-diol
CID 66176123
5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonic acid
CID 168593744
5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide
CID 168597285
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116501092
3-(2-chloro-4-fluoro-3-methylanilino)propane-1,2-diol
CID 168594510

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide?
The IUPAC name of 5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide (CID 168597106) is 5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(Cl)ccc1NCC(O)CO.
What is the InChIKey of 5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide?
The InChIKey is MKNYDGVHTFPVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-15(2)12(18)10-5-8(13)3-4-11(10)14-6-9(17)7-16/h3-5,9,14,16-17H,6-7H2,1-2H3.
What are the key properties of 5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide?
5-chloro-2-(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 5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 168597106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).