2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide

C25H20ClN3O3 — CID 67809152

IUPAC2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1-n1cnc(C)c1
InChIInChI=1S/C25H20ClN3O3/c1-16-14-29(15-27-16)22-13-19(11-12-23(22)32-2)28-25(31)21-6-4-3-5-20(21)24(30)17-7-9-18(26)10-8-17/h3-15H,1-2H3,(H,28,31)
InChIKeyUOICBNWZYHRRBO-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.33
Rot. Bonds6

About 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide

2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide (PubChem CID 67809152) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide
PubChem CID67809152
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC Name2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1-n1cnc(C)c1
InChIInChI=1S/C25H20ClN3O3/c1-16-14-29(15-27-16)22-13-19(11-12-23(22)32-2)28-25(31)21-6-4-3-5-20(21)24(30)17-7-9-18(26)10-8-17/h3-15H,1-2H3,(H,28,31)
InChIKeyUOICBNWZYHRRBO-UHFFFAOYSA-N
XLogP5.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide (CID 67809152) is 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1-n1cnc(C)c1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide?
The InChIKey is UOICBNWZYHRRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c1-16-14-29(15-27-16)22-13-19(11-12-23(22)32-2)28-25(31)21-6-4-3-5-20(21)24(30)17-7-9-18(26)10-8-17/h3-15H,1-2H3,(H,28,31).
What are the key properties of 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide?
2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide has a molecular weight of 445.91 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 67809152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).