2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

C11H13Cl2NO4 — CID 107844859

IUPAC2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESO=C(NC(CO)(CO)CO)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO4/c12-8-3-1-2-7(9(8)13)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6H2,(H,14,18)
InChIKeyVUSWMVFPBKHONM-UHFFFAOYSA-N
MW294.13 g/mol
LogP0.44
Rot. Bonds5

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

2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (PubChem CID 107844859) has the molecular formula C11H13Cl2NO4 and a molecular weight of 294.13 g/mol. Its IUPAC name is 2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
PubChem CID107844859
Molecular FormulaC11H13Cl2NO4
Molecular Weight294.13 g/mol
Exact Mass293.02
IUPAC Name2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESO=C(NC(CO)(CO)CO)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2NO4/c12-8-3-1-2-7(9(8)13)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6H2,(H,14,18)
InChIKeyVUSWMVFPBKHONM-UHFFFAOYSA-N
XLogP0.44
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 115540629
2,3-dichloro-N-sulfanylbenzamide
CID 71773851
3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-nitrobenzamide
CID 115541131
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846792
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzamide
CID 114008477
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbenzamide
CID 114007995
2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide
CID 114008491
3-amino-2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 114008008
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (CID 107844859) is 2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is O=C(NC(CO)(CO)CO)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The InChIKey is VUSWMVFPBKHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4/c12-8-3-1-2-7(9(8)13)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6H2,(H,14,18).
What are the key properties of 2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide has a molecular weight of 294.13 g/mol, XLogP of 0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is sourced from PubChem (CID 107844859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).