N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide

C14H18Br2N2O — CID 43549384

IUPACN-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide
SMILESNc1cc(Br)c(NC(=O)CCC2CCCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O/c15-11-7-10(17)8-12(16)14(11)18-13(19)6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyBIKTWIGSXOUINY-UHFFFAOYSA-N
MW390.12 g/mol
LogP4.70
Rot. Bonds4

About N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide

N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide (PubChem CID 43549384) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide
PubChem CID43549384
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC NameN-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide
SMILESNc1cc(Br)c(NC(=O)CCC2CCCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O/c15-11-7-10(17)8-12(16)14(11)18-13(19)6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyBIKTWIGSXOUINY-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide
CID 81314780
N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide
CID 62586302
N-(4-amino-2,6-dibromophenyl)hexanamide
CID 43549305
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
CID 63116323
N-(4-amino-2,6-dibromophenyl)cyclopropanecarboxamide
CID 43549427
N-(5-amino-4-methyl-2-pyridinyl)-3-cyclohexylpropanamide
CID 61293878
2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride
CID 43096758
N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide
CID 114259223

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide (CID 43549384) is N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide is Nc1cc(Br)c(NC(=O)CCC2CCCC2)c(Br)c1.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide?
The InChIKey is BIKTWIGSXOUINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c15-11-7-10(17)8-12(16)14(11)18-13(19)6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19).
What are the key properties of N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide?
N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide has a molecular weight of 390.12 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 43549384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).