N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide

C11H12BrN3O — CID 82707862

IUPACN-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C11H12BrN3O/c1-14-5-4-11(16)15-10-3-2-9(12)6-8(10)7-13/h2-3,6,14H,4-5H2,1H3,(H,15,16)
InChIKeyHDNMXAIXMWQRAR-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.87
Rot. Bonds4

About N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide

N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide (PubChem CID 82707862) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
PubChem CID82707862
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC NameN-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C11H12BrN3O/c1-14-5-4-11(16)15-10-3-2-9(12)6-8(10)7-13/h2-3,6,14H,4-5H2,1H3,(H,15,16)
InChIKeyHDNMXAIXMWQRAR-UHFFFAOYSA-N
XLogP1.87
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-cyanophenyl)-3-(methylamino)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-(4-bromo-2-cyanophenyl)-4-(methylamino)butanamide
CID 82707852
N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide
CID 82707532
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbutanamide
CID 82708856
N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208294
(4-bromo-2-cyanophenyl)urea
CID 82708837
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide
CID 82708527
N-[2-cyano-4-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 115911191

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide (CID 82707862) is N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide is CNCCC(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide?
The InChIKey is HDNMXAIXMWQRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-14-5-4-11(16)15-10-3-2-9(12)6-8(10)7-13/h2-3,6,14H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide?
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide has a molecular weight of 282.14 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide is sourced from PubChem (CID 82707862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).