5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide

C15H10BrClN2O — CID 47475858

IUPAC5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN2O/c1-9-2-3-10(8-18)6-14(9)19-15(20)12-7-11(16)4-5-13(12)17/h2-7H,1H3,(H,19,20)
InChIKeyUKSMLFFOCBXGOL-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.53
Rot. Bonds2

About 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide

5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide (PubChem CID 47475858) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
PubChem CID47475858
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN2O/c1-9-2-3-10(8-18)6-14(9)19-15(20)12-7-11(16)4-5-13(12)17/h2-7H,1H3,(H,19,20)
InChIKeyUKSMLFFOCBXGOL-UHFFFAOYSA-N
XLogP4.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
CID 106852116
2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
CID 114922463
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
3-chloro-N-(5-cyano-2-methylphenyl)thiophene-2-carboxamide
CID 80644972
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
CID 62059730
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide (CID 47475858) is 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide is Cc1ccc(C#N)cc1NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide?
The InChIKey is UKSMLFFOCBXGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-9-2-3-10(8-18)6-14(9)19-15(20)12-7-11(16)4-5-13(12)17/h2-7H,1H3,(H,19,20).
What are the key properties of 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide?
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide has a molecular weight of 349.62 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide is sourced from PubChem (CID 47475858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).