2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

C11H15ClN2O4 — CID 107843370

IUPAC2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESNc1ccc(Cl)cc1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H15ClN2O4/c12-7-1-2-9(13)8(3-7)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6,13H2,(H,14,18)
InChIKeyOPQRULDBJVXFRE-UHFFFAOYSA-N
MW274.70 g/mol
LogP-0.63
Rot. Bonds5

About 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (PubChem CID 107843370) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
PubChem CID107843370
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESNc1ccc(Cl)cc1C(=O)NC(CO)(CO)CO
InChIInChI=1S/C11H15ClN2O4/c12-7-1-2-9(13)8(3-7)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6,13H2,(H,14,18)
InChIKeyOPQRULDBJVXFRE-UHFFFAOYSA-N
XLogP-0.63
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 113434986
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846792
2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide
CID 16778185
2-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65103861
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
3-amino-2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 114008008
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzamide
CID 107844804
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
CID 114007983
2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide
CID 115597357
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-fluorobenzamide;hydrochloride
CID 119570891

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The IUPAC name of 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (CID 107843370) is 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is Nc1ccc(Cl)cc1C(=O)NC(CO)(CO)CO.
What is the InChIKey of 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The InChIKey is OPQRULDBJVXFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c12-7-1-2-9(13)8(3-7)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6,13H2,(H,14,18).
What are the key properties of 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide has a molecular weight of 274.70 g/mol, XLogP of -0.63, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is sourced from PubChem (CID 107843370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).