2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

C13H17ClFNO2 — CID 79381925

IUPAC2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-4-16(8-13(2,3)18)12(17)11-9(14)6-5-7-10(11)15/h5-7,18H,4,8H2,1-3H3
InChIKeyCOLGOLSWMJXCFS-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 79381925) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID79381925
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-4-16(8-13(2,3)18)12(17)11-9(14)6-5-7-10(11)15/h5-7,18H,4,8H2,1-3H3
InChIKeyCOLGOLSWMJXCFS-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-6-fluorobenzamide
CID 54987662
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979
2-[(2-chloro-6-fluorobenzoyl)-propylamino]acetic acid
CID 61011677
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 79381969
2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
CID 71442782
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide
CID 79381069
N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381034

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (CID 79381925) is 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(C)O)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is COLGOLSWMJXCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-4-16(8-13(2,3)18)12(17)11-9(14)6-5-7-10(11)15/h5-7,18H,4,8H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 273.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 79381925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).