N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide

C15H13ClFNO2 — CID 23019870

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide
SMILESO=C(NCc1c(F)cccc1Cl)c1ccccc1CO
InChIInChI=1S/C15H13ClFNO2/c16-13-6-3-7-14(17)12(13)8-18-15(20)11-5-2-1-4-10(11)9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyFPBNJQHGYRBZSZ-UHFFFAOYSA-N
MW293.72 g/mol
LogP2.90
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide (PubChem CID 23019870) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.72 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide
PubChem CID23019870
Molecular FormulaC15H13ClFNO2
Molecular Weight293.72 g/mol
Exact Mass293.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide
SMILESO=C(NCc1c(F)cccc1Cl)c1ccccc1CO
InChIInChI=1S/C15H13ClFNO2/c16-13-6-3-7-14(17)12(13)8-18-15(20)11-5-2-1-4-10(11)9-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyFPBNJQHGYRBZSZ-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic Acid
CID 3616161
N-benzyl-2-(hydroxymethyl)benzamide
CID 826787
2-{[(4-Fluorobenzyl)amino]carbonyl}benzoic acid
CID 3240677
2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one
CID 5307375
2'-(2-Chloro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431344
Benzoic acid, 2-[[[2-(4-fluorophenyl)ethyl]amino]carbonyl]-
CID 11323655
Isoquinolin-1(2H)-ones, 1d
CID 134611905
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-methylbenzamide
CID 45816389
2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764204
2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide
CID 56764296
2-chloro-6-fluoro-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}benzamide
CID 56765442
2-chloro-6-fluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzamide
CID 71782144

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide (CID 23019870) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide is O=C(NCc1c(F)cccc1Cl)c1ccccc1CO.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide?
The InChIKey is FPBNJQHGYRBZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-13-6-3-7-14(17)12(13)8-18-15(20)11-5-2-1-4-10(11)9-19/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide has a molecular weight of 293.72 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide is sourced from PubChem (CID 23019870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).