2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C25H22ClN3O2 — CID 16573030

IUPAC2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN3O2/c26-22-12-10-21(11-13-22)18-31-24-5-2-1-4-23(24)25(30)27-16-19-6-8-20(9-7-19)17-29-15-3-14-28-29/h1-15H,16-18H2,(H,27,30)
InChIKeyOJNFXKKHQWYGSJ-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.09
Rot. Bonds8

About 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 16573030) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID16573030
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN3O2/c26-22-12-10-21(11-13-22)18-31-24-5-2-1-4-23(24)25(30)27-16-19-6-8-20(9-7-19)17-29-15-3-14-28-29/h1-15H,16-18H2,(H,27,30)
InChIKeyOJNFXKKHQWYGSJ-UHFFFAOYSA-N
XLogP5.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[(3-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methoxy]benzamide
CID 32636544
3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 25403898
2-[(4-chlorophenyl)methoxy]-N-(2-pyridin-3-ylethyl)benzamide
CID 39559750
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
2-[(4-fluorophenyl)methylsulfanyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55760131
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 16573030) is 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is OJNFXKKHQWYGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c26-22-12-10-21(11-13-22)18-31-24-5-2-1-4-23(24)25(30)27-16-19-6-8-20(9-7-19)17-29-15-3-14-28-29/h1-15H,16-18H2,(H,27,30).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 431.92 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 16573030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).