2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide

C12H16ClNO2 — CID 115869357

IUPAC2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CO)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-8-5-4-6-10(11(8)13)12(16)14(3)9(2)7-15/h4-6,9,15H,7H2,1-3H3
InChIKeyZTPCXBJAGAHCCT-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.10
Rot. Bonds3

About 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide

2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide (PubChem CID 115869357) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
PubChem CID115869357
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CO)c1Cl
InChIInChI=1S/C12H16ClNO2/c1-8-5-4-6-10(11(8)13)12(16)14(3)9(2)7-15/h4-6,9,15H,7H2,1-3H3
InChIKeyZTPCXBJAGAHCCT-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728
2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
CID 107984024
N-(1-hydroxypropan-2-yl)-N,2-dimethyl-3-nitrobenzamide
CID 112704636
N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 104552913
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
3-bromo-2-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103988617
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104553452
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide?
The IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide (CID 115869357) is 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)C(C)CO)c1Cl.
What is the InChIKey of 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide?
The InChIKey is ZTPCXBJAGAHCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-5-4-6-10(11(8)13)12(16)14(3)9(2)7-15/h4-6,9,15H,7H2,1-3H3.
What are the key properties of 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide?
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide is sourced from PubChem (CID 115869357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).