1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide

C12H15BrN2O — CID 65464635

IUPAC1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(N)CC1)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O/c1-8(9-4-2-3-5-10(9)13)15-11(16)12(14)6-7-12/h2-5,8H,6-7,14H2,1H3,(H,15,16)
InChIKeyAPHJSDBLWWERMD-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.12
Rot. Bonds3

About 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 65464635) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID65464635
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(N)CC1)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O/c1-8(9-4-2-3-5-10(9)13)15-11(16)12(14)6-7-12/h2-5,8H,6-7,14H2,1H3,(H,15,16)
InChIKeyAPHJSDBLWWERMD-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide (CID 65464635) is 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1(N)CC1)c1ccccc1Br.
What is the InChIKey of 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is APHJSDBLWWERMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(9-4-2-3-5-10(9)13)15-11(16)12(14)6-7-12/h2-5,8H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 65464635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).