N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride

C18H27Br2ClN2O — CID 3054563

IUPACN-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1.Cl
InChIInChI=1S/C18H26Br2N2O.ClH/c1-3-7-17(23)21-18-13(10-14(19)11-16(18)20)12-22(2)15-8-5-4-6-9-15;/h10-11,15H,3-9,12H2,1-2H3,(H,21,23);1H
InChIKeyDSXBTLFINUEAIL-UHFFFAOYSA-N
MW482.69 g/mol
LogP6.14
Rot. Bonds6

About N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride

N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride (PubChem CID 3054563) has the molecular formula C18H27Br2ClN2O and a molecular weight of 482.69 g/mol. Its IUPAC name is N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride
PubChem CID3054563
Molecular FormulaC18H27Br2ClN2O
Molecular Weight482.69 g/mol
Exact Mass480.02
IUPAC NameN-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1.Cl
InChIInChI=1S/C18H26Br2N2O.ClH/c1-3-7-17(23)21-18-13(10-14(19)11-16(18)20)12-22(2)15-8-5-4-6-9-15;/h10-11,15H,3-9,12H2,1-2H3,(H,21,23);1H
InChIKeyDSXBTLFINUEAIL-UHFFFAOYSA-N
XLogP6.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride?
The IUPAC name of N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride (CID 3054563) is N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride?
The canonical SMILES for N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride is CCCC(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1.Cl.
What is the InChIKey of N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride?
The InChIKey is DSXBTLFINUEAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Br2N2O.ClH/c1-3-7-17(23)21-18-13(10-14(19)11-16(18)20)12-22(2)15-8-5-4-6-9-15;/h10-11,15H,3-9,12H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride?
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride has a molecular weight of 482.69 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide;hydrochloride is sourced from PubChem (CID 3054563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).