N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide

C10H9BrN2O — CID 115172450

IUPACN-[2-(4-bromophenyl)ethyl]-1-cyanoformamide
SMILESN#CC(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2O/c11-9-3-1-8(2-4-9)5-6-13-10(14)7-12/h1-4H,5-6H2,(H,13,14)
InChIKeyQJYAOINZJCYJLD-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.63
Rot. Bonds3

About N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide

N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide (PubChem CID 115172450) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-1-cyanoformamide
PubChem CID115172450
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC NameN-[2-(4-bromophenyl)ethyl]-1-cyanoformamide
SMILESN#CC(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2O/c11-9-3-1-8(2-4-9)5-6-13-10(14)7-12/h1-4H,5-6H2,(H,13,14)
InChIKeyQJYAOINZJCYJLD-UHFFFAOYSA-N
XLogP1.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
CID 115139262
N-[2-(4-bromophenyl)ethyl]-3-cyanopropanamide
CID 94701975
N-[2-(4-bromophenyl)ethyl]-2-cyanobutanamide
CID 115188383
N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 4271588
N-[2-(4-bromophenyl)ethyl]-3-oxobutanamide
CID 115176509
1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
CID 115172582
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
1-[2-(4-bromophenyl)ethyl]-3-ethenylurea
CID 108909361
1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide
CID 115172542
1-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172455
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568
1-cyano-N-[2-(3-methylphenyl)ethyl]formamide
CID 115172562

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide (CID 115172450) is N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide is N#CC(=O)NCCc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide?
The InChIKey is QJYAOINZJCYJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-9-3-1-8(2-4-9)5-6-13-10(14)7-12/h1-4H,5-6H2,(H,13,14).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide?
N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide has a molecular weight of 253.10 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide is sourced from PubChem (CID 115172450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).