5-amino-N-(4-bromophenyl)hexanamide

C12H17BrN2O — CID 82848125

IUPAC5-amino-N-(4-bromophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-9(14)3-2-4-12(16)15-11-7-5-10(13)6-8-11/h5-9H,2-4,14H2,1H3,(H,15,16)
InChIKeyYPKIJUNTNDBYFA-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.91
Rot. Bonds5

About 5-amino-N-(4-bromophenyl)hexanamide

5-amino-N-(4-bromophenyl)hexanamide (PubChem CID 82848125) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-amino-N-(4-bromophenyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(4-bromophenyl)hexanamide
PubChem CID82848125
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-amino-N-(4-bromophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-9(14)3-2-4-12(16)15-11-7-5-10(13)6-8-11/h5-9H,2-4,14H2,1H3,(H,15,16)
InChIKeyYPKIJUNTNDBYFA-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide
CID 82852538

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromophenyl)hexanamide?
The IUPAC name of 5-amino-N-(4-bromophenyl)hexanamide (CID 82848125) is 5-amino-N-(4-bromophenyl)hexanamide.
What is the SMILES notation for 5-amino-N-(4-bromophenyl)hexanamide?
The canonical SMILES for 5-amino-N-(4-bromophenyl)hexanamide is CC(N)CCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 5-amino-N-(4-bromophenyl)hexanamide?
The InChIKey is YPKIJUNTNDBYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(14)3-2-4-12(16)15-11-7-5-10(13)6-8-11/h5-9H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-(4-bromophenyl)hexanamide?
5-amino-N-(4-bromophenyl)hexanamide has a molecular weight of 285.19 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromophenyl)hexanamide is sourced from PubChem (CID 82848125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).