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

C13H17ClFNO2 — CID 79380808

IUPAC4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO2/c1-4-16(8-13(2,3)18)12(17)10-6-5-9(14)7-11(10)15/h5-7,18H,4,8H2,1-3H3
InChIKeyLPCBZLNTNVUEMC-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 79380808) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.74 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID79380808
Molecular FormulaC13H17ClFNO2
Molecular Weight273.74 g/mol
Exact Mass273.09
IUPAC Name4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO2/c1-4-16(8-13(2,3)18)12(17)10-6-5-9(14)7-11(10)15/h5-7,18H,4,8H2,1-3H3
InChIKeyLPCBZLNTNVUEMC-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 ≤ 500273.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79290471
N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381321
N-ethyl-2,3,4,5-tetrafluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380809
2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide
CID 79381069
4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid
CID 79379273
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79376979
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
4-chloro-N-(cyanomethyl)-2-fluoro-N-propylbenzamide
CID 61227255

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (CID 79380808) is 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(C)O)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is LPCBZLNTNVUEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-4-16(8-13(2,3)18)12(17)10-6-5-9(14)7-11(10)15/h5-7,18H,4,8H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 273.74 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 4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 79380808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).