1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide

C18H24BrNO — CID 55521341

IUPAC1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2ccc(Br)cc2)CC1)C1CCCCCC1
InChIInChI=1S/C18H24BrNO/c1-20(16-6-4-2-3-5-7-16)17(21)18(12-13-18)14-8-10-15(19)11-9-14/h8-11,16H,2-7,12-13H2,1H3
InChIKeyUYSRLHMPVZRPDA-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.66
Rot. Bonds3

About 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide

1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide (PubChem CID 55521341) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
PubChem CID55521341
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(c2ccc(Br)cc2)CC1)C1CCCCCC1
InChIInChI=1S/C18H24BrNO/c1-20(16-6-4-2-3-5-7-16)17(21)18(12-13-18)14-8-10-15(19)11-9-14/h8-11,16H,2-7,12-13H2,1H3
InChIKeyUYSRLHMPVZRPDA-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminophenyl)-N-cyclohexyl-N-methylcyclopropane-1-carboxamide
CID 115913184
1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55468765
N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide
CID 112760416
1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide
CID 115913557
1-(4-chlorophenyl)-N-methyl-N-(thian-4-yl)cyclopropane-1-carboxamide
CID 91830183
1-(4-aminophenyl)-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 115913190
N,N-dicyclohexyl-1-phenylcyclopropane-1-carboxamide
CID 3231412
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 62626913
N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 102634188
N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide
CID 112812586
1-(4-bromophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylcyclobutane-1-carboxamide
CID 78847173
N-methyl-N-(1-methylpiperidin-4-yl)-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
CID 118788762

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide (CID 55521341) is 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(c2ccc(Br)cc2)CC1)C1CCCCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide?
The InChIKey is UYSRLHMPVZRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-20(16-6-4-2-3-5-7-16)17(21)18(12-13-18)14-8-10-15(19)11-9-14/h8-11,16H,2-7,12-13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide has a molecular weight of 350.30 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55521341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).