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

C17H25Br2ClN2O — CID 3054561

IUPACN-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1.Cl
InChIInChI=1S/C17H24Br2N2O.ClH/c1-3-16(22)20-17-12(9-13(18)10-15(17)19)11-21(2)14-7-5-4-6-8-14;/h9-10,14H,3-8,11H2,1-2H3,(H,20,22);1H
InChIKeyPKIZJNKNIBMNMV-UHFFFAOYSA-N
MW468.66 g/mol
LogP5.75
Rot. Bonds5

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

N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride (PubChem CID 3054561) has the molecular formula C17H25Br2ClN2O and a molecular weight of 468.66 g/mol. Its IUPAC name is N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride
PubChem CID3054561
Molecular FormulaC17H25Br2ClN2O
Molecular Weight468.66 g/mol
Exact Mass466.00
IUPAC NameN-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1.Cl
InChIInChI=1S/C17H24Br2N2O.ClH/c1-3-16(22)20-17-12(9-13(18)10-15(17)19)11-21(2)14-7-5-4-6-8-14;/h9-10,14H,3-8,11H2,1-2H3,(H,20,22);1H
InChIKeyPKIZJNKNIBMNMV-UHFFFAOYSA-N
XLogP5.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 55.75
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]propanamide;hydrochloride?
The IUPAC name of N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride (CID 3054561) is N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride is CCC(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1.Cl.
What is the InChIKey of N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride?
The InChIKey is PKIZJNKNIBMNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Br2N2O.ClH/c1-3-16(22)20-17-12(9-13(18)10-15(17)19)11-21(2)14-7-5-4-6-8-14;/h9-10,14H,3-8,11H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride?
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide;hydrochloride has a molecular weight of 468.66 g/mol, XLogP of 5.75, 5 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]propanamide;hydrochloride is sourced from PubChem (CID 3054561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).