4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide

C14H19ClFNO2 — CID 107989597

IUPAC4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO2/c1-9(2)7-14(3,19)8-17-13(18)10-4-5-11(15)12(16)6-10/h4-6,9,19H,7-8H2,1-3H3,(H,17,18)
InChIKeyMTKZLUKPZHENKH-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.01
Rot. Bonds5

About 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide

4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (PubChem CID 107989597) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
PubChem CID107989597
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFNO2/c1-9(2)7-14(3,19)8-17-13(18)10-4-5-11(15)12(16)6-10/h4-6,9,19H,7-8H2,1-3H3,(H,17,18)
InChIKeyMTKZLUKPZHENKH-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-3-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107997969
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-3-fluorobenzamide
CID 107994092
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307
N-(5-bromo-2,2-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 106145651
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 83070022
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
N-(2-bromobutyl)-4-chloro-3-fluorobenzamide
CID 107994206
3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
CID 103840147

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (CID 107989597) is 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is CC(C)CC(C)(O)CNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The InChIKey is MTKZLUKPZHENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-9(2)7-14(3,19)8-17-13(18)10-4-5-11(15)12(16)6-10/h4-6,9,19H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide has a molecular weight of 287.76 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is sourced from PubChem (CID 107989597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).