N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide

C14H18Br2N2O — CID 107940016

IUPACN-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
SMILESNCC1CCCCC1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O/c15-10-5-6-11(12(16)7-10)14(19)18-13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4,8,17H2,(H,18,19)
InChIKeyFDPPIWYNRDNCIV-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.46
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide

N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide (PubChem CID 107940016) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
PubChem CID107940016
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
SMILESNCC1CCCCC1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O/c15-10-5-6-11(12(16)7-10)14(19)18-13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4,8,17H2,(H,18,19)
InChIKeyFDPPIWYNRDNCIV-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
CID 119602955
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
CID 79714631
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028
N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 107725193
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide (CID 107940016) is N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide is NCC1CCCCC1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide?
The InChIKey is FDPPIWYNRDNCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c15-10-5-6-11(12(16)7-10)14(19)18-13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4,8,17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide?
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide has a molecular weight of 390.12 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide is sourced from PubChem (CID 107940016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).