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

C11H11BrN2O — CID 82757747

IUPACN-(2-bromo-5-methylphenyl)-2-cyanopropanamide
SMILESCc1ccc(Br)c(NC(=O)C(C)C#N)c1
InChIInChI=1S/C11H11BrN2O/c1-7-3-4-9(12)10(5-7)14-11(15)8(2)6-13/h3-5,8H,1-2H3,(H,14,15)
InChIKeyFFDKMTQHCPVCEI-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.86
Rot. Bonds2

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

N-(2-bromo-5-methylphenyl)-2-cyanopropanamide (PubChem CID 82757747) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-cyanopropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2-cyanopropanamide
PubChem CID82757747
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC NameN-(2-bromo-5-methylphenyl)-2-cyanopropanamide
SMILESCc1ccc(Br)c(NC(=O)C(C)C#N)c1
InChIInChI=1S/C11H11BrN2O/c1-7-3-4-9(12)10(5-7)14-11(15)8(2)6-13/h3-5,8H,1-2H3,(H,14,15)
InChIKeyFFDKMTQHCPVCEI-UHFFFAOYSA-N
XLogP2.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-methylphenyl)-2-cyanopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
N-(2-bromo-5-methylphenyl)-2-cyanopentanamide
CID 82757658
4-(2-bromo-5-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499045
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide
CID 113349937
N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309991
3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
CID 82747385
(2-bromo-5-methylphenyl)urea
CID 82707313
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
CID 82708389
(2S,3R)-2-[(2-bromo-5-methylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966496
2-cyano-N-(2,4,6-trimethylphenyl)propanamide
CID 55207019

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-cyanopropanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2-cyanopropanamide (CID 82757747) is N-(2-bromo-5-methylphenyl)-2-cyanopropanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-cyanopropanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-cyanopropanamide is Cc1ccc(Br)c(NC(=O)C(C)C#N)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-cyanopropanamide?
The InChIKey is FFDKMTQHCPVCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7-3-4-9(12)10(5-7)14-11(15)8(2)6-13/h3-5,8H,1-2H3,(H,14,15).
What are the key properties of N-(2-bromo-5-methylphenyl)-2-cyanopropanamide?
N-(2-bromo-5-methylphenyl)-2-cyanopropanamide has a molecular weight of 267.13 g/mol, XLogP of 2.86, 2 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-cyanopropanamide is sourced from PubChem (CID 82757747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).