3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C11H13ClFNO2 — CID 115869389

IUPAC3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO2/c1-7(6-15)14(2)11(16)8-4-3-5-9(12)10(8)13/h3-5,7,15H,6H2,1-2H3
InChIKeyPMVNJBPUSMVFDD-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.93
Rot. Bonds3

About 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 115869389) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID115869389
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO2/c1-7(6-15)14(2)11(16)8-4-3-5-9(12)10(8)13/h3-5,7,15H,6H2,1-2H3
InChIKeyPMVNJBPUSMVFDD-UHFFFAOYSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113337578
3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 113426327
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 80718791
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104553452
2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704720
7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 109388515
3-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 82482408

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 115869389) is 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CC(CO)N(C)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is PMVNJBPUSMVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(6-15)14(2)11(16)8-4-3-5-9(12)10(8)13/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 245.68 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 115869389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).