N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide

C14H7BrClFN2O — CID 82707621

IUPACN-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H7BrClFN2O/c15-9-4-5-12(8(6-9)7-18)19-14(20)13-10(16)2-1-3-11(13)17/h1-6H,(H,19,20)
InChIKeyQLSUSKXMXBQZHF-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.37
Rot. Bonds2

About N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide

N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide (PubChem CID 82707621) has the molecular formula C14H7BrClFN2O and a molecular weight of 353.58 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
PubChem CID82707621
Molecular FormulaC14H7BrClFN2O
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC NameN-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H7BrClFN2O/c15-9-4-5-12(8(6-9)7-18)19-14(20)13-10(16)2-1-3-11(13)17/h1-6H,(H,19,20)
InChIKeyQLSUSKXMXBQZHF-UHFFFAOYSA-N
XLogP4.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid
CID 60916637
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 107185689
5-bromo-2-[(2-chloro-6-fluorophenyl)methylamino]benzonitrile
CID 82708487
3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
CID 82692123
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
CID 63658381
N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 82683757
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide (CID 82707621) is N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide is N#Cc1cc(Br)ccc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide?
The InChIKey is QLSUSKXMXBQZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O/c15-9-4-5-12(8(6-9)7-18)19-14(20)13-10(16)2-1-3-11(13)17/h1-6H,(H,19,20).
What are the key properties of N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide?
N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide has a molecular weight of 353.58 g/mol, XLogP of 4.37, 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-cyanophenyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 82707621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).