N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide

C20H12BrClN4O2 — CID 22601675

IUPACN-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C20H12BrClN4O2/c21-14-5-8-18(24-11-14)26-20(28)16-9-15(22)6-7-17(16)25-19(27)13-3-1-12(10-23)2-4-13/h1-9,11H,(H,25,27)(H,24,26,28)
InChIKeyFJOWSCMBPQUYDK-UHFFFAOYSA-N
MW455.70 g/mol
LogP4.87
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide

N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide (PubChem CID 22601675) has the molecular formula C20H12BrClN4O2 and a molecular weight of 455.70 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide
PubChem CID22601675
Molecular FormulaC20H12BrClN4O2
Molecular Weight455.70 g/mol
Exact Mass453.98
IUPAC NameN-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C20H12BrClN4O2/c21-14-5-8-18(24-11-14)26-20(28)16-9-15(22)6-7-17(16)25-19(27)13-3-1-12(10-23)2-4-13/h1-9,11H,(H,25,27)(H,24,26,28)
InChIKeyFJOWSCMBPQUYDK-UHFFFAOYSA-N
XLogP4.87
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.70
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide
CID 89432643
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
acetylene;2-benzamido-5-chloro-N-(5-ethynyl-2-pyridinyl)benzamide
CID 142175051
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide (CID 22601675) is N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide is N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide?
The InChIKey is FJOWSCMBPQUYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN4O2/c21-14-5-8-18(24-11-14)26-20(28)16-9-15(22)6-7-17(16)25-19(27)13-3-1-12(10-23)2-4-13/h1-9,11H,(H,25,27)(H,24,26,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide?
N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide has a molecular weight of 455.70 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide is sourced from PubChem (CID 22601675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).