N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide

C17H24BrNO — CID 114457955

IUPACN-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CC1CCCCCC1
InChIInChI=1S/C17H24BrNO/c1-19(13-15-10-6-7-11-16(15)18)17(20)12-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyFOVHDLSOTWZENT-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.77
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide

N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide (PubChem CID 114457955) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
PubChem CID114457955
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CC1CCCCCC1
InChIInChI=1S/C17H24BrNO/c1-19(13-15-10-6-7-11-16(15)18)17(20)12-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyFOVHDLSOTWZENT-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
CID 60647343
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 120728275
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242109
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457040
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
N-[(2-bromophenyl)methyl]-3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-methylpropanamide
CID 111808102
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide (CID 114457955) is N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide is CN(Cc1ccccc1Br)C(=O)CC1CCCCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide?
The InChIKey is FOVHDLSOTWZENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-19(13-15-10-6-7-11-16(15)18)17(20)12-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide has a molecular weight of 338.29 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 114457955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).