N-(5-bromo-2-cyanophenyl)propanamide

C10H9BrN2O — CID 104880130

IUPACN-(5-bromo-2-cyanophenyl)propanamide
SMILESCCC(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C10H9BrN2O/c1-2-10(14)13-9-5-8(11)4-3-7(9)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyPOGULYCPANWYFA-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.67
Rot. Bonds2

About N-(5-bromo-2-cyanophenyl)propanamide

N-(5-bromo-2-cyanophenyl)propanamide (PubChem CID 104880130) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)propanamide
PubChem CID104880130
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC NameN-(5-bromo-2-cyanophenyl)propanamide
SMILESCCC(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C10H9BrN2O/c1-2-10(14)13-9-5-8(11)4-3-7(9)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyPOGULYCPANWYFA-UHFFFAOYSA-N
XLogP2.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-2-cyanophenyl)propanamide 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

N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide
CID 107798334
N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
CID 104880239
N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103278055
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
CID 107798144
N-(5-bromo-2-cyanophenyl)-4-(propan-2-ylamino)butanamide
CID 107798202
2-(5-bromo-2-cyanoanilino)-N-ethylacetamide
CID 114901468
N-(5-bromo-2-cyanophenyl)-3-chloro-2,2-dimethylpropanamide
CID 107797781
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 104880469

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)propanamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)propanamide (CID 104880130) is N-(5-bromo-2-cyanophenyl)propanamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)propanamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)propanamide is CCC(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)propanamide?
The InChIKey is POGULYCPANWYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-2-10(14)13-9-5-8(11)4-3-7(9)6-12/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of N-(5-bromo-2-cyanophenyl)propanamide?
N-(5-bromo-2-cyanophenyl)propanamide has a molecular weight of 253.10 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)propanamide is sourced from PubChem (CID 104880130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).