5-amino-N-(2-bromophenyl)hexanamide

C12H17BrN2O — CID 82848124

IUPAC5-amino-N-(2-bromophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-9(14)5-4-8-12(16)15-11-7-3-2-6-10(11)13/h2-3,6-7,9H,4-5,8,14H2,1H3,(H,15,16)
InChIKeyWQDXJVLSHJWETC-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.91
Rot. Bonds5

About 5-amino-N-(2-bromophenyl)hexanamide

5-amino-N-(2-bromophenyl)hexanamide (PubChem CID 82848124) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 5-amino-N-(2-bromophenyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(2-bromophenyl)hexanamide
PubChem CID82848124
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name5-amino-N-(2-bromophenyl)hexanamide
SMILESCC(N)CCCC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-9(14)5-4-8-12(16)15-11-7-3-2-6-10(11)13/h2-3,6-7,9H,4-5,8,14H2,1H3,(H,15,16)
InChIKeyWQDXJVLSHJWETC-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 ≤ 500285.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(2-iodophenyl)hexanamide
CID 82848467
5-amino-N-[2-(dimethylamino)phenyl]hexanamide
CID 82847991
4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide
CID 81496462
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
CID 82848561
5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 82851221
N-(2-bromophenyl)butanamide
CID 732405
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
5-(2-bromoanilino)-5-oxopentanoate
CID 6939173
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromophenyl)hexanamide?
The IUPAC name of 5-amino-N-(2-bromophenyl)hexanamide (CID 82848124) is 5-amino-N-(2-bromophenyl)hexanamide.
What is the SMILES notation for 5-amino-N-(2-bromophenyl)hexanamide?
The canonical SMILES for 5-amino-N-(2-bromophenyl)hexanamide is CC(N)CCCC(=O)Nc1ccccc1Br.
What is the InChIKey of 5-amino-N-(2-bromophenyl)hexanamide?
The InChIKey is WQDXJVLSHJWETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(14)5-4-8-12(16)15-11-7-3-2-6-10(11)13/h2-3,6-7,9H,4-5,8,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-(2-bromophenyl)hexanamide?
5-amino-N-(2-bromophenyl)hexanamide has a molecular weight of 285.18 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-(2-bromophenyl)hexanamide is sourced from PubChem (CID 82848124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).