2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide

C15H12ClF2NO2 — CID 110909050

IUPAC2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CO)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H12ClF2NO2/c16-12-6-14(18)13(17)5-11(12)15(21)19-7-9-3-1-2-4-10(9)8-20/h1-6,20H,7-8H2,(H,19,21)
InChIKeyBZRXDOJLDKBQOX-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide

2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 110909050) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID110909050
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Name2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CO)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H12ClF2NO2/c16-12-6-14(18)13(17)5-11(12)15(21)19-7-9-3-1-2-4-10(9)8-20/h1-6,20H,7-8H2,(H,19,21)
InChIKeyBZRXDOJLDKBQOX-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
CID 82771924
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110908798
2,4-dichloro-5-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24676423
methyl 4-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]benzoate
CID 4810749
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893
2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 111102341
2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide
CID 1252541
N-[2-(1-benzothiophen-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 87005686
2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 3107152
N'-(5-chloro-2-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]oxamide
CID 110922387
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide (CID 110909050) is 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1CO)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is BZRXDOJLDKBQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c16-12-6-14(18)13(17)5-11(12)15(21)19-7-9-3-1-2-4-10(9)8-20/h1-6,20H,7-8H2,(H,19,21).
What are the key properties of 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide?
2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 311.72 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 110909050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).