5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide

C15H12BrN3O — CID 62983322

IUPAC5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(N)ccc1Br)c1ccc(C#N)cc1
InChIInChI=1S/C15H12BrN3O/c1-19(12-5-2-10(9-17)3-6-12)15(20)13-8-11(18)4-7-14(13)16/h2-8H,18H2,1H3
InChIKeySJJBMOMCDLDQMK-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.18
Rot. Bonds2

About 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide

5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide (PubChem CID 62983322) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide
PubChem CID62983322
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(N)ccc1Br)c1ccc(C#N)cc1
InChIInChI=1S/C15H12BrN3O/c1-19(12-5-2-10(9-17)3-6-12)15(20)13-8-11(18)4-7-14(13)16/h2-8H,18H2,1H3
InChIKeySJJBMOMCDLDQMK-UHFFFAOYSA-N
XLogP3.18
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-cyanophenyl)-N,3-dimethylbenzamide
CID 115772398
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-(4-cyanophenyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107671429
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
CID 28894609
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
CID 114918456
N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62980842
N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide
CID 62983453

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide?
The IUPAC name of 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide (CID 62983322) is 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide is CN(C(=O)c1cc(N)ccc1Br)c1ccc(C#N)cc1.
What is the InChIKey of 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide?
The InChIKey is SJJBMOMCDLDQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-19(12-5-2-10(9-17)3-6-12)15(20)13-8-11(18)4-7-14(13)16/h2-8H,18H2,1H3.
What are the key properties of 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide?
5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide has a molecular weight of 330.19 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide is sourced from PubChem (CID 62983322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).