4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C11H14ClNO2 — CID 115765131

IUPAC4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(7-14)13(2)11(15)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeyMWKAFBDDMRVIHW-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.79
Rot. Bonds3

About 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 115765131) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID115765131
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(7-14)13(2)11(15)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeyMWKAFBDDMRVIHW-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113344177
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
4-(bromomethyl)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 102852055
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113343131
4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 109388608
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
(E)-3-[4-[1-hydroxypropan-2-yl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 104553923
4-chloro-N-[1-(3-hydroxyazetidin-1-yl)propan-2-yl]-N-methylbenzamide
CID 67773383

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 115765131) is 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CC(CO)N(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is MWKAFBDDMRVIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(7-14)13(2)11(15)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 227.69 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 115765131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).