2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide

C13H15ClFNO2 — CID 52992747

IUPAC2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
SMILESCC(O)(CNC(=O)c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C13H15ClFNO2/c1-13(18,8-5-6-8)7-16-12(17)11-9(14)3-2-4-10(11)15/h2-4,8,18H,5-7H2,1H3,(H,16,17)
InChIKeyIETYWCUDYAVJDF-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide

2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide (PubChem CID 52992747) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
PubChem CID52992747
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
SMILESCC(O)(CNC(=O)c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C13H15ClFNO2/c1-13(18,8-5-6-8)7-16-12(17)11-9(14)3-2-4-10(11)15/h2-4,8,18H,5-7H2,1H3,(H,16,17)
InChIKeyIETYWCUDYAVJDF-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745
3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide
CID 108575170
2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498490
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111519861
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide (CID 52992747) is 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide is CC(O)(CNC(=O)c1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide?
The InChIKey is IETYWCUDYAVJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-13(18,8-5-6-8)7-16-12(17)11-9(14)3-2-4-10(11)15/h2-4,8,18H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide?
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide has a molecular weight of 271.72 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide is sourced from PubChem (CID 52992747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).