3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide

C14H11ClFNO2 — CID 115732894

IUPAC3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-11-7-9(5-6-12(11)16)14(19)17-8-10-3-1-2-4-13(10)18/h1-7,18H,8H2,(H,17,19)
InChIKeyDIUWUJMASIOZKZ-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide

3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 115732894) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID115732894
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-11-7-9(5-6-12(11)16)14(19)17-8-10-3-1-2-4-13(10)18/h1-7,18H,8H2,(H,17,19)
InChIKeyDIUWUJMASIOZKZ-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115610944
N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 103110367
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
4-bromo-N-[(2-chlorophenyl)methyl]-3-hydroxybenzamide
CID 103830389

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide (CID 115732894) is 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccccc1O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is DIUWUJMASIOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-11-7-9(5-6-12(11)16)14(19)17-8-10-3-1-2-4-13(10)18/h1-7,18H,8H2,(H,17,19).
What are the key properties of 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide?
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 279.70 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 115732894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).