4-chloro-2-[(4-cyanophenyl)methoxy]benzamide

C15H11ClN2O2 — CID 47467976

IUPAC4-chloro-2-[(4-cyanophenyl)methoxy]benzamide
SMILESN#Cc1ccc(COc2cc(Cl)ccc2C(N)=O)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-5-6-13(15(18)19)14(7-12)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2,(H2,18,19)
InChIKeyWWLMTYHQFCVOLI-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.89
Rot. Bonds4

About 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide

4-chloro-2-[(4-cyanophenyl)methoxy]benzamide (PubChem CID 47467976) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-[(4-cyanophenyl)methoxy]benzamide
PubChem CID47467976
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name4-chloro-2-[(4-cyanophenyl)methoxy]benzamide
SMILESN#Cc1ccc(COc2cc(Cl)ccc2C(N)=O)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-5-6-13(15(18)19)14(7-12)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2,(H2,18,19)
InChIKeyWWLMTYHQFCVOLI-UHFFFAOYSA-N
XLogP2.89
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
4-chloro-2-ethoxybenzamide
CID 126998915
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid
CID 107014369
4-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102663354
(4-chlorophenyl)methyl 4-cyanobenzoate
CID 2592542
4-chloro-2-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 114323054
4-[(2-acetyl-5-methoxyphenoxy)methyl]benzonitrile
CID 12813703
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide
CID 23219702
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide?
The IUPAC name of 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide (CID 47467976) is 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide.
What is the SMILES notation for 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide?
The canonical SMILES for 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide is N#Cc1ccc(COc2cc(Cl)ccc2C(N)=O)cc1.
What is the InChIKey of 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide?
The InChIKey is WWLMTYHQFCVOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-5-6-13(15(18)19)14(7-12)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2,(H2,18,19).
What are the key properties of 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide?
4-chloro-2-[(4-cyanophenyl)methoxy]benzamide has a molecular weight of 286.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-cyanophenyl)methoxy]benzamide is sourced from PubChem (CID 47467976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).