N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide

C15H19BrFNO — CID 106827402

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCc2cc(Br)ccc2F)CCCCC1
InChIInChI=1S/C15H19BrFNO/c1-15(7-3-2-4-8-15)14(19)18-10-11-9-12(16)5-6-13(11)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyZBAXVJMOILHVRV-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.17
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106827402) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106827402
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCc2cc(Br)ccc2F)CCCCC1
InChIInChI=1S/C15H19BrFNO/c1-15(7-3-2-4-8-15)14(19)18-10-11-9-12(16)5-6-13(11)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyZBAXVJMOILHVRV-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55236472
N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 104985996
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
CID 114968454
2-(5-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066408
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
CID 55137134
1-[[[N-[(5-bromo-2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111572151
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide (CID 106827402) is N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCc2cc(Br)ccc2F)CCCCC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is ZBAXVJMOILHVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-15(7-3-2-4-8-15)14(19)18-10-11-9-12(16)5-6-13(11)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 328.22 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).