5-chloro-2-(2,3-dihydroxypropylamino)benzamide

C10H13ClN2O3 — CID 168593745

IUPAC5-chloro-2-(2,3-dihydroxypropylamino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCC(O)CO
InChIInChI=1S/C10H13ClN2O3/c11-6-1-2-9(8(3-6)10(12)16)13-4-7(15)5-14/h1-3,7,13-15H,4-5H2,(H2,12,16)
InChIKeyYCPHHCFHQSCSEV-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.20
Rot. Bonds5

About 5-chloro-2-(2,3-dihydroxypropylamino)benzamide

5-chloro-2-(2,3-dihydroxypropylamino)benzamide (PubChem CID 168593745) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dihydroxypropylamino)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2,3-dihydroxypropylamino)benzamide
PubChem CID168593745
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name5-chloro-2-(2,3-dihydroxypropylamino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCC(O)CO
InChIInChI=1S/C10H13ClN2O3/c11-6-1-2-9(8(3-6)10(12)16)13-4-7(15)5-14/h1-3,7,13-15H,4-5H2,(H2,12,16)
InChIKeyYCPHHCFHQSCSEV-UHFFFAOYSA-N
XLogP0.20
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168597106
3-(2-amino-4-chloroanilino)propane-1,2-diol
CID 66176123
5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonamide
CID 168597285
5-chloro-2-[(3-chloro-2-hydroxypropyl)amino]benzoic acid
CID 168640956
5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonic acid
CID 168593744
3-(2-carbamoyl-4-chloroanilino)propanoic acid
CID 62492779
2-(2,3-dihydroxypropylamino)-4,5-dimethoxybenzamide
CID 168595303
3-amino-4-(2,3-dihydroxypropylamino)benzamide
CID 66176345
5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 47409666
3-(4-amino-2-chloroanilino)propane-1,2-diol
CID 66176348
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
2-[(3-amino-2,2-difluoropropyl)amino]-5-chlorobenzamide
CID 114384429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dihydroxypropylamino)benzamide?
The IUPAC name of 5-chloro-2-(2,3-dihydroxypropylamino)benzamide (CID 168593745) is 5-chloro-2-(2,3-dihydroxypropylamino)benzamide.
What is the SMILES notation for 5-chloro-2-(2,3-dihydroxypropylamino)benzamide?
The canonical SMILES for 5-chloro-2-(2,3-dihydroxypropylamino)benzamide is NC(=O)c1cc(Cl)ccc1NCC(O)CO.
What is the InChIKey of 5-chloro-2-(2,3-dihydroxypropylamino)benzamide?
The InChIKey is YCPHHCFHQSCSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c11-6-1-2-9(8(3-6)10(12)16)13-4-7(15)5-14/h1-3,7,13-15H,4-5H2,(H2,12,16).
What are the key properties of 5-chloro-2-(2,3-dihydroxypropylamino)benzamide?
5-chloro-2-(2,3-dihydroxypropylamino)benzamide has a molecular weight of 244.68 g/mol, XLogP of 0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-dihydroxypropylamino)benzamide is sourced from PubChem (CID 168593745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).