2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide

C14H11ClFNO2 — CID 64793467

IUPAC2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1O
InChIInChI=1S/C14H11ClFNO2/c1-8-5-6-9(7-12(8)18)17-14(19)13-10(15)3-2-4-11(13)16/h2-7,18H,1H3,(H,17,19)
InChIKeyXKXUFKANBIIRKX-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide

2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide (PubChem CID 64793467) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
PubChem CID64793467
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1O
InChIInChI=1S/C14H11ClFNO2/c1-8-5-6-9(7-12(8)18)17-14(19)13-10(15)3-2-4-11(13)16/h2-7,18H,1H3,(H,17,19)
InChIKeyXKXUFKANBIIRKX-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 2811607
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide (CID 64793467) is 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1O.
What is the InChIKey of 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
The InChIKey is XKXUFKANBIIRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-5-6-9(7-12(8)18)17-14(19)13-10(15)3-2-4-11(13)16/h2-7,18H,1H3,(H,17,19).
What are the key properties of 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide?
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide has a molecular weight of 279.70 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 64793467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).