N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide

C15H21BrN2O — CID 79767583

IUPACN-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
SMILESNc1cc(NC(=O)CCC2CCCCC2)ccc1Br
InChIInChI=1S/C15H21BrN2O/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9,17H2,(H,18,19)
InChIKeyVHQXJRSWHYUZMF-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.33
Rot. Bonds4

About N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide

N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide (PubChem CID 79767583) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
PubChem CID79767583
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
SMILESNc1cc(NC(=O)CCC2CCCCC2)ccc1Br
InChIInChI=1S/C15H21BrN2O/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9,17H2,(H,18,19)
InChIKeyVHQXJRSWHYUZMF-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.33
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

2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764
N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide
CID 43549384
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide (CID 79767583) is N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide is Nc1cc(NC(=O)CCC2CCCCC2)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide?
The InChIKey is VHQXJRSWHYUZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide?
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide has a molecular weight of 325.25 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 79767583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).