N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide

C13H14BrNO — CID 115594336

IUPACN-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C13H14BrNO/c1-9(14)8-15-13(16)12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12H,1,7-8H2,(H,15,16)
InChIKeyGONSVLHJYGIACD-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.81
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide

N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 115594336) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID115594336
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC NameN-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C13H14BrNO/c1-9(14)8-15-13(16)12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12H,1,7-8H2,(H,15,16)
InChIKeyGONSVLHJYGIACD-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 110625222
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 78985906
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 99776033

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide (CID 115594336) is N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide is C=C(Br)CNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is GONSVLHJYGIACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-9(14)8-15-13(16)12-7-11(12)10-5-3-2-4-6-10/h2-6,11-12H,1,7-8H2,(H,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide?
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 280.17 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 115594336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).