4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide

C15H20Br2N2O — CID 79526653

IUPAC4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2CCC(CN)CC2)c(Br)c1
InChIInChI=1S/C15H20Br2N2O/c1-9-6-12(16)14(13(17)7-9)19-15(20)11-4-2-10(8-18)3-5-11/h6-7,10-11H,2-5,8,18H2,1H3,(H,19,20)
InChIKeyYTDOVPXOOZKOSU-UHFFFAOYSA-N
MW404.15 g/mol
LogP4.22
Rot. Bonds3

About 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 79526653) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID79526653
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2CCC(CN)CC2)c(Br)c1
InChIInChI=1S/C15H20Br2N2O/c1-9-6-12(16)14(13(17)7-9)19-15(20)11-4-2-10(8-18)3-5-11/h6-7,10-11H,2-5,8,18H2,1H3,(H,19,20)
InChIKeyYTDOVPXOOZKOSU-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide (CID 79526653) is 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide is Cc1cc(Br)c(NC(=O)C2CCC(CN)CC2)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is YTDOVPXOOZKOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-9-6-12(16)14(13(17)7-9)19-15(20)11-4-2-10(8-18)3-5-11/h6-7,10-11H,2-5,8,18H2,1H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 404.15 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79526653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).