N-(4-bromo-2-methylphenyl)-3-cyanobenzamide

C15H11BrN2O — CID 18777750

IUPACN-(4-bromo-2-methylphenyl)-3-cyanobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H11BrN2O/c1-10-7-13(16)5-6-14(10)18-15(19)12-4-2-3-11(8-12)9-17/h2-8H,1H3,(H,18,19)
InChIKeyFIHWGZMXEFJLJI-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.88
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-3-cyanobenzamide

N-(4-bromo-2-methylphenyl)-3-cyanobenzamide (PubChem CID 18777750) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-cyanobenzamide
PubChem CID18777750
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC NameN-(4-bromo-2-methylphenyl)-3-cyanobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H11BrN2O/c1-10-7-13(16)5-6-14(10)18-15(19)12-4-2-3-11(8-12)9-17/h2-8H,1H3,(H,18,19)
InChIKeyFIHWGZMXEFJLJI-UHFFFAOYSA-N
XLogP3.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
CID 104723758
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 46523398
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(3-cyanophenyl)methyl]-methylazanium
CID 9303360
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-cyanobenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-cyanobenzamide (CID 18777750) is N-(4-bromo-2-methylphenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-cyanobenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-cyanobenzamide is Cc1cc(Br)ccc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-cyanobenzamide?
The InChIKey is FIHWGZMXEFJLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-10-7-13(16)5-6-14(10)18-15(19)12-4-2-3-11(8-12)9-17/h2-8H,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-cyanobenzamide?
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide has a molecular weight of 315.17 g/mol, XLogP of 3.88, 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-methylphenyl)-3-cyanobenzamide is sourced from PubChem (CID 18777750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).