N-(2-bromo-5-methylphenyl)-2-cyanopentanamide

C13H15BrN2O — CID 82757658

IUPACN-(2-bromo-5-methylphenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-4-10(8-15)13(17)16-12-7-9(2)5-6-11(12)14/h5-7,10H,3-4H2,1-2H3,(H,16,17)
InChIKeySSFNOERPQRWMDW-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.64
Rot. Bonds4

About N-(2-bromo-5-methylphenyl)-2-cyanopentanamide

N-(2-bromo-5-methylphenyl)-2-cyanopentanamide (PubChem CID 82757658) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-cyanopentanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2-cyanopentanamide
PubChem CID82757658
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-(2-bromo-5-methylphenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-4-10(8-15)13(17)16-12-7-9(2)5-6-11(12)14/h5-7,10H,3-4H2,1-2H3,(H,16,17)
InChIKeySSFNOERPQRWMDW-UHFFFAOYSA-N
XLogP3.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
N-(2-bromo-5-methylphenyl)-2-cyanopropanamide
CID 82757747
N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide
CID 81271570
N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
CID 81292095
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide
CID 107592367
N-(4-bromo-3-chlorophenyl)-2-cyanopentanamide
CID 107620353
N-(2-bromo-5-methylphenyl)-2-carbamothioylpentanamide
CID 82757577
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
ethyl 2-[(2-bromo-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116538239
N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide
CID 107808316
4-(2-bromo-5-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499045
N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309991

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-cyanopentanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2-cyanopentanamide (CID 82757658) is N-(2-bromo-5-methylphenyl)-2-cyanopentanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-cyanopentanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-cyanopentanamide is CCCC(C#N)C(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-cyanopentanamide?
The InChIKey is SSFNOERPQRWMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-4-10(8-15)13(17)16-12-7-9(2)5-6-11(12)14/h5-7,10H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-5-methylphenyl)-2-cyanopentanamide?
N-(2-bromo-5-methylphenyl)-2-cyanopentanamide has a molecular weight of 295.18 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2-cyanopentanamide is sourced from PubChem (CID 82757658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).