cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C13H16BrNO — CID 95287116

IUPACcis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCCc1ccccc1Br
InChIInChI=1S/C13H16BrNO/c1-9-8-11(9)13(16)15-7-6-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3,(H,15,16)/t9-,11+/m0/s1
InChIKeyRVMPGNVRIGQNME-GXSJLCMTSA-N
MW282.18 g/mol
LogP2.76
Rot. Bonds4

About cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 95287116) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID95287116
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Namecis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCCc1ccccc1Br
InChIInChI=1S/C13H16BrNO/c1-9-8-11(9)13(16)15-7-6-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3,(H,15,16)/t9-,11+/m0/s1
InChIKeyRVMPGNVRIGQNME-GXSJLCMTSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831515
trans-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-propan-2-ylcyclohexane-1-carboxamide
CID 71012118
N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide
CID 115150493
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide
CID 71935204
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47292025
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
1-[2-(2-bromophenyl)ethyl]-3-(cyanomethyl)urea
CID 108864921
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 48964058

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 95287116) is cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)NCCc1ccccc1Br.
What is the InChIKey of cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is RVMPGNVRIGQNME-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9-8-11(9)13(16)15-7-6-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3,(H,15,16)/t9-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 282.18 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95287116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).