2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide

C11H14ClNO3 — CID 66170217

IUPAC2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
SMILESCC(O)(CO)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO3/c1-11(16,7-14)6-13-10(15)8-4-2-3-5-9(8)12/h2-5,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyNTSMQOADBGKKJS-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.81
Rot. Bonds4

About 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide

2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide (PubChem CID 66170217) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
PubChem CID66170217
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
SMILESCC(O)(CO)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO3/c1-11(16,7-14)6-13-10(15)8-4-2-3-5-9(8)12/h2-5,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyNTSMQOADBGKKJS-UHFFFAOYSA-N
XLogP0.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 107963443
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170018
2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 64991561
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide
CID 107690124
N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
CID 66168188
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725
5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
The IUPAC name of 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide (CID 66170217) is 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide is CC(O)(CO)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
The InChIKey is NTSMQOADBGKKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-11(16,7-14)6-13-10(15)8-4-2-3-5-9(8)12/h2-5,14,16H,6-7H2,1H3,(H,13,15).
What are the key properties of 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide?
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide has a molecular weight of 243.69 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 66170217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).