N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide

C11H12BrNO2 — CID 164645796

IUPACN-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide
SMILESCOC1CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-15-10-6-9(10)11(14)13-8-4-2-7(12)3-5-8/h2-5,9-10H,6H2,1H3,(H,13,14)
InChIKeyRLNSRIPJHJJKFO-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.42
Rot. Bonds3

About N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide

N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide (PubChem CID 164645796) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide
PubChem CID164645796
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC NameN-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide
SMILESCOC1CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2/c1-15-10-6-9(10)11(14)13-8-4-2-7(12)3-5-8/h2-5,9-10H,6H2,1H3,(H,13,14)
InChIKeyRLNSRIPJHJJKFO-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-2-methoxycyclopropane-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 N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide (CID 164645796) is N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide is COC1CC1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide?
The InChIKey is RLNSRIPJHJJKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-10-6-9(10)11(14)13-8-4-2-7(12)3-5-8/h2-5,9-10H,6H2,1H3,(H,13,14).
What are the key properties of N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide?
N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide is sourced from PubChem (CID 164645796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).