N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide

C15H20BrNO — CID 104985996

IUPACN-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H20BrNO/c1-15(8-3-2-4-9-15)14(18)17-11-12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3,(H,17,18)
InChIKeyFXVWYZDZODYLKY-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.04
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide

N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 104985996) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
PubChem CID104985996
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H20BrNO/c1-15(8-3-2-4-9-15)14(18)17-11-12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3,(H,17,18)
InChIKeyFXVWYZDZODYLKY-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026
1-(aminomethyl)-N-[(3-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705750
N-[(3-bromophenyl)methyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184081
N-[(3-bromophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 166513730
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 106827402
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871
3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 157254948
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106827980
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide (CID 104985996) is N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCc2cccc(Br)c2)CCCCC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is FXVWYZDZODYLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-15(8-3-2-4-9-15)14(18)17-11-12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3,(H,17,18).
What are the key properties of N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide?
N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 310.23 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 104985996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).