trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide

C11H12BrNO2 — CID 94813050

IUPACtrans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
SMILESCONC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C11H12BrNO2/c1-15-13-11(14)10-6-9(10)7-3-2-4-8(12)5-7/h2-5,9-10H,6H2,1H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyIZWMFLJIMNXRTR-VHSXEESVSA-N
MW270.13 g/mol
LogP2.23
Rot. Bonds3

About trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide (PubChem CID 94813050) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
PubChem CID94813050
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Nametrans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
SMILESCONC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C11H12BrNO2/c1-15-13-11(14)10-6-9(10)7-3-2-4-8(12)5-7/h2-5,9-10H,6H2,1H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyIZWMFLJIMNXRTR-VHSXEESVSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-(3-bromophenyl)-N-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

Related Compounds

N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119524603
2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 49156347
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120650416
methyl 5-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]pentanoate
CID 49197372
cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 95155854
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119571568
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119571567
trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 124787259

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide (CID 94813050) is trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide is CONC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide?
The InChIKey is IZWMFLJIMNXRTR-VHSXEESVSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-13-11(14)10-6-9(10)7-3-2-4-8(12)5-7/h2-5,9-10H,6H2,1H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide is sourced from PubChem (CID 94813050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).