N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C13H13BrFNO — CID 115594402

IUPACN-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H13BrFNO/c1-9(14)8-16-12(17)13(6-7-13)10-2-4-11(15)5-3-10/h2-5H,1,6-8H2,(H,16,17)
InChIKeyPGTXVAYCXKXTTC-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.88
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 115594402) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID115594402
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC NameN-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H13BrFNO/c1-9(14)8-16-12(17)13(6-7-13)10-2-4-11(15)5-3-10/h2-5H,1,6-8H2,(H,16,17)
InChIKeyPGTXVAYCXKXTTC-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369835
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741
1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 60976922
1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514550
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516608

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 115594402) is N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is C=C(Br)CNC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is PGTXVAYCXKXTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-9(14)8-16-12(17)13(6-7-13)10-2-4-11(15)5-3-10/h2-5H,1,6-8H2,(H,16,17).
What are the key properties of N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 298.16 g/mol, XLogP of 2.88, 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)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115594402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).