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

C12H17BrN2O — CID 60852203

IUPAC2-amino-N-(4-bromophenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-2-3-4-11(14)12(16)15-10-7-5-9(13)6-8-10/h5-8,11H,2-4,14H2,1H3,(H,15,16)
InChIKeyHKQUEYZAOMHDAQ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.91
Rot. Bonds5

About 2-amino-N-(4-bromophenyl)hexanamide

2-amino-N-(4-bromophenyl)hexanamide (PubChem CID 60852203) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-amino-N-(4-bromophenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromophenyl)hexanamide
PubChem CID60852203
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-amino-N-(4-bromophenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-2-3-4-11(14)12(16)15-10-7-5-9(13)6-8-10/h5-8,11H,2-4,14H2,1H3,(H,15,16)
InChIKeyHKQUEYZAOMHDAQ-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

(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
ethyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate
CID 103830868
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 115443247
3-[4-(2-aminohexanoylamino)phenyl]butanoic acid
CID 104503078
(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
CID 107143973
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 107144336
2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromophenyl)hexanamide?
The IUPAC name of 2-amino-N-(4-bromophenyl)hexanamide (CID 60852203) is 2-amino-N-(4-bromophenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(4-bromophenyl)hexanamide?
The canonical SMILES for 2-amino-N-(4-bromophenyl)hexanamide is CCCCC(N)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-(4-bromophenyl)hexanamide?
The InChIKey is HKQUEYZAOMHDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-3-4-11(14)12(16)15-10-7-5-9(13)6-8-10/h5-8,11H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(4-bromophenyl)hexanamide?
2-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 2-amino-N-(4-bromophenyl)hexanamide is sourced from PubChem (CID 60852203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).