2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide

C14H18BrNO2 — CID 47089784

IUPAC2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
SMILESCCOCCNC(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-2-18-8-7-16-14(17)13-9-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)
InChIKeyMRMLSBIEFIWOPS-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.71
Rot. Bonds6

About 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide

2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide (PubChem CID 47089784) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
PubChem CID47089784
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
SMILESCCOCCNC(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-2-18-8-7-16-14(17)13-9-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)
InChIKeyMRMLSBIEFIWOPS-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-N-(2-ethoxyethyl)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

Related Compounds

trans-(1R,2R)-2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 94798725
methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95271586
cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
CID 94811517
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
CID 134009740
ethyl 2-[[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]sulfamoyl-methylamino]acetate
CID 166332451
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
trans-(1S,2S)-2-(4-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95595207
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
cis-(1R,2S)-2-[2-(4-bromophenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 167806687
cis-(1R,2S)-2-(4-bromophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 94801668

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide (CID 47089784) is 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide is CCOCCNC(=O)C1CC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is MRMLSBIEFIWOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-2-18-8-7-16-14(17)13-9-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide?
2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47089784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).