1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide

C16H19BrFNO — CID 69259424

IUPAC1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C16H19BrFNO/c17-11-6-7-13(14(18)10-11)16(8-9-16)15(20)19-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,19,20)
InChIKeyXLDYPEUOSQYNDP-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.07
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide

1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide (PubChem CID 69259424) has the molecular formula C16H19BrFNO and a molecular weight of 340.24 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide
PubChem CID69259424
Molecular FormulaC16H19BrFNO
Molecular Weight340.24 g/mol
Exact Mass339.06
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C16H19BrFNO/c17-11-6-7-13(14(18)10-11)16(8-9-16)15(20)19-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,19,20)
InChIKeyXLDYPEUOSQYNDP-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 53016800
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
2-(5-bromo-2-fluorophenyl)-2-chloro-N-cyclohexylacetamide
CID 62225718
1-(5-chloro-1H-indol-3-yl)-N-cycloheptylcyclopropane-1-carboxamide
CID 113210973
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate
CID 9387980
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
4-(4-bromo-2-fluorophenyl)piperidine-4-carboxylic acid
CID 150033708
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
(E)-3-(4-bromo-2-fluorophenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 7967077
N-[3-(4-bromophenyl)-1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 91249659

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide (CID 69259424) is 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide is O=C(NC1CCCCC1)C1(c2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide?
The InChIKey is XLDYPEUOSQYNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNO/c17-11-6-7-13(14(18)10-11)16(8-9-16)15(20)19-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,19,20).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide?
1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-cyclohexylcyclopropane-1-carboxamide is sourced from PubChem (CID 69259424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).