cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide

C12H14BrNO2 — CID 94811517

IUPACcis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
SMILESCCONC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO2/c1-2-16-14-12(15)11-7-10(11)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyNNASLUQPMZPIJE-QWRGUYRKSA-N
MW284.15 g/mol
LogP2.62
Rot. Bonds4

About cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide

cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide (PubChem CID 94811517) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
PubChem CID94811517
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Namecis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
SMILESCCONC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO2/c1-2-16-14-12(15)11-7-10(11)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyNNASLUQPMZPIJE-QWRGUYRKSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-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

Related Compounds

2-(4-Bromophenyl)acetamide
CID 256951
3-(4-Bromophenyl)propanamide
CID 12273139
US9505736, (1S,2S,3S)-2-(4-Bromophenyl)-1-fluoro-N-hydroxy-3-phenylcyclopropanecarboxamide
CID 72948225
(1R,2R,3R)-2-(2-bromophenyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 60148622
(1R,2R,3R)-2-(3-bromophenyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 60148623
(1R,2R,3R)-2-(4-bromophenyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 60148624
2-(4-bromophenyl)-N-hydroxyacetamide
CID 24710293
2-(2-bromophenyl)-N-hydroxyacetamide
CID 131174108
(2R)-2-(4-bromophenyl)propanamide
CID 68822872
4-(4-Bromophenyl)butanamide
CID 4417735
(2R)-3-(4-bromophenyl)-2-methylpropanamide
CID 70959017
2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide
CID 135040761

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide (CID 94811517) is cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide is CCONC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide?
The InChIKey is NNASLUQPMZPIJE-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-2-16-14-12(15)11-7-10(11)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7H2,1H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide?
cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide is sourced from PubChem (CID 94811517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).