N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide

C12H14BrNO — CID 9220068

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)C1CC1)c1ccccc1Br
InChIInChI=1S/C12H14BrNO/c1-8(14-12(15)9-6-7-9)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyJXQUPOZLDDPKLY-MRVPVSSYSA-N
MW268.15 g/mol
LogP3.04
Rot. Bonds3

About N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide

N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide (PubChem CID 9220068) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
PubChem CID9220068
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)C1CC1)c1ccccc1Br
InChIInChI=1S/C12H14BrNO/c1-8(14-12(15)9-6-7-9)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyJXQUPOZLDDPKLY-MRVPVSSYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81397693
N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 73389762
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
2-amino-N-[1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 64823134
3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777686
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 112762584
(1S,6R)-6-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103881146

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide (CID 9220068) is N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide is C[C@@H](NC(=O)C1CC1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is JXQUPOZLDDPKLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(14-12(15)9-6-7-9)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide?
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 268.15 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 9220068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).