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

C15H13ClFNO2 — CID 107230315

IUPAC5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H13ClFNO2/c16-12-5-6-14(17)13(7-12)15(20)18-8-10-1-3-11(9-19)4-2-10/h1-7,19H,8-9H2,(H,18,20)
InChIKeyRJISYQGBDYLTAT-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.90
Rot. Bonds4

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

5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 107230315) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID107230315
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H13ClFNO2/c16-12-5-6-14(17)13(7-12)15(20)18-8-10-1-3-11(9-19)4-2-10/h1-7,19H,8-9H2,(H,18,20)
InChIKeyRJISYQGBDYLTAT-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 ≤ 500293.73
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
CID 90945452
3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide
CID 107232664
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (CID 107230315) is 5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(CO)cc1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is RJISYQGBDYLTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-12-5-6-14(17)13(7-12)15(20)18-8-10-1-3-11(9-19)4-2-10/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 293.73 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 5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107230315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).