3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide

C14H11ClFNO2 — CID 4807069

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-10(3-6-13(12)18)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyHXQWLZXQKVBOKO-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide

3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide (PubChem CID 4807069) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
PubChem CID4807069
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-10(3-6-13(12)18)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8H2,(H,17,19)
InChIKeyHXQWLZXQKVBOKO-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

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Related Compounds

N-[(4-carbamothioylphenyl)methyl]-3-chloro-4-hydroxybenzamide
CID 62309633
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 31303037
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide (CID 4807069) is 3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide is O=C(NCc1ccc(F)cc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide?
The InChIKey is HXQWLZXQKVBOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-12-7-10(3-6-13(12)18)14(19)17-8-9-1-4-11(16)5-2-9/h1-7,18H,8H2,(H,17,19).
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide?
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide 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-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide is sourced from PubChem (CID 4807069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).