2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide

C24H16ClN3O2 — CID 4098418

IUPAC2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C24H16ClN3O2/c25-18-13-11-17(12-14-18)23(29)19-7-1-2-8-20(19)24(30)28(21-9-3-5-15-26-21)22-10-4-6-16-27-22/h1-16H
InChIKeyIHZSYAZVHOMYQH-UHFFFAOYSA-N
MW413.86 g/mol
LogP5.34
Rot. Bonds5

About 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide

2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide (PubChem CID 4098418) has the molecular formula C24H16ClN3O2 and a molecular weight of 413.86 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide
PubChem CID4098418
Molecular FormulaC24H16ClN3O2
Molecular Weight413.86 g/mol
Exact Mass413.09
IUPAC Name2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C24H16ClN3O2/c25-18-13-11-17(12-14-18)23(29)19-7-1-2-8-20(19)24(30)28(21-9-3-5-15-26-21)22-10-4-6-16-27-22/h1-16H
InChIKeyIHZSYAZVHOMYQH-UHFFFAOYSA-N
XLogP5.34
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.86
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
(4-chlorophenyl)-(2-pyridin-2-yloxyphenyl)methanone
CID 132518040
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide
CID 112811410
4-chloro-N-[(2-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35577356
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
2,2-dimethyl-N,N-dipyridin-2-ylpropanamide
CID 66628090
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
2-(4-chlorobenzoyl)-N-(2-methylpropyl)benzamide
CID 11841449

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide (CID 4098418) is 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide is O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N(c1ccccn1)c1ccccn1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide?
The InChIKey is IHZSYAZVHOMYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2/c25-18-13-11-17(12-14-18)23(29)19-7-1-2-8-20(19)24(30)28(21-9-3-5-15-26-21)22-10-4-6-16-27-22/h1-16H.
What are the key properties of 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide?
2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide has a molecular weight of 413.86 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide is sourced from PubChem (CID 4098418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).