N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide

C14H7BrCl2N2O — CID 104578908

IUPACN-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H7BrCl2N2O/c15-10-5-6-11(13(17)12(10)16)19-14(20)9-3-1-8(7-18)2-4-9/h1-6H,(H,19,20)
InChIKeyJKCYBXRRHFHLBG-UHFFFAOYSA-N
MW370.03 g/mol
LogP4.88
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide

N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide (PubChem CID 104578908) has the molecular formula C14H7BrCl2N2O and a molecular weight of 370.03 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide
PubChem CID104578908
Molecular FormulaC14H7BrCl2N2O
Molecular Weight370.03 g/mol
Exact Mass367.91
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1
InChIInChI=1S/C14H7BrCl2N2O/c15-10-5-6-11(13(17)12(10)16)19-14(20)9-3-1-8(7-18)2-4-9/h1-6H,(H,19,20)
InChIKeyJKCYBXRRHFHLBG-UHFFFAOYSA-N
XLogP4.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.03
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide
CID 89406457
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
N-(6-chloro-2-oxo-1H-pyridin-3-yl)-4-cyanobenzamide
CID 89198833
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793435
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
4-cyano-N-(2-iodo-4-methylphenyl)benzamide
CID 53308928
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide (CID 104578908) is N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cc1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide?
The InChIKey is JKCYBXRRHFHLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O/c15-10-5-6-11(13(17)12(10)16)19-14(20)9-3-1-8(7-18)2-4-9/h1-6H,(H,19,20).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide?
N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide has a molecular weight of 370.03 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide is sourced from PubChem (CID 104578908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).