2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide

C18H16BrN3O2 — CID 78798076

IUPAC2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1ccccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-22(12-6-11-20)18(24)14-8-3-5-10-16(14)21-17(23)13-7-2-4-9-15(13)19/h2-5,7-10H,6,12H2,1H3,(H,21,23)
InChIKeyPBHYMJBBMRMZRG-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.69
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide

2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide (PubChem CID 78798076) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide
PubChem CID78798076
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide
SMILESCN(CCC#N)C(=O)c1ccccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C18H16BrN3O2/c1-22(12-6-11-20)18(24)14-8-3-5-10-16(14)21-17(23)13-7-2-4-9-15(13)19/h2-5,7-10H,6,12H2,1H3,(H,21,23)
InChIKeyPBHYMJBBMRMZRG-UHFFFAOYSA-N
XLogP3.69
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 55358384
N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 60609840
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
5-bromo-N-(2-cyanoethyl)-2-iodo-N-methylbenzamide
CID 99149210
2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
CID 115678772
2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 78791161
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
1-(2-cyanoethyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 61314609
3-(N-[2-(2-bromophenyl)-2-oxoethyl]anilino)propanenitrile
CID 60679700
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide (CID 78798076) is 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide is CN(CCC#N)C(=O)c1ccccc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide?
The InChIKey is PBHYMJBBMRMZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-22(12-6-11-20)18(24)14-8-3-5-10-16(14)21-17(23)13-7-2-4-9-15(13)19/h2-5,7-10H,6,12H2,1H3,(H,21,23).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide?
2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide has a molecular weight of 386.25 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide is sourced from PubChem (CID 78798076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).