2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

C27H20FN3O3 — CID 60555105

IUPAC2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C27H20FN3O3/c28-20-13-11-18(12-14-20)25(32)23-9-1-2-10-24(23)27(34)31-21-8-5-6-19(16-21)26(33)30-17-22-7-3-4-15-29-22/h1-16H,17H2,(H,30,33)(H,31,34)
InChIKeyBNAOTRMCNRYHDV-UHFFFAOYSA-N
MW453.47 g/mol
LogP4.63
Rot. Bonds7

About 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 60555105) has the molecular formula C27H20FN3O3 and a molecular weight of 453.47 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID60555105
Molecular FormulaC27H20FN3O3
Molecular Weight453.47 g/mol
Exact Mass453.15
IUPAC Name2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C27H20FN3O3/c28-20-13-11-18(12-14-20)25(32)23-9-1-2-10-24(23)27(34)31-21-8-5-6-19(16-21)26(33)30-17-22-7-3-4-15-29-22/h1-16H,17H2,(H,30,33)(H,31,34)
InChIKeyBNAOTRMCNRYHDV-UHFFFAOYSA-N
XLogP4.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 71913514
6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 48659585
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 60554928

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (CID 60555105) is 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is BNAOTRMCNRYHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O3/c28-20-13-11-18(12-14-20)25(32)23-9-1-2-10-24(23)27(34)31-21-8-5-6-19(16-21)26(33)30-17-22-7-3-4-15-29-22/h1-16H,17H2,(H,30,33)(H,31,34).
What are the key properties of 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 453.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 60555105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).