2-amino-N-[(2-bromophenyl)methyl]hexanamide

C13H19BrN2O — CID 61402483

IUPAC2-amino-N-[(2-bromophenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-2-3-8-12(15)13(17)16-9-10-6-4-5-7-11(10)14/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17)
InChIKeyRPGZFDVFAVQPNV-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.58
Rot. Bonds6

About 2-amino-N-[(2-bromophenyl)methyl]hexanamide

2-amino-N-[(2-bromophenyl)methyl]hexanamide (PubChem CID 61402483) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-amino-N-[(2-bromophenyl)methyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromophenyl)methyl]hexanamide
PubChem CID61402483
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-[(2-bromophenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-2-3-8-12(15)13(17)16-9-10-6-4-5-7-11(10)14/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17)
InChIKeyRPGZFDVFAVQPNV-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
(2S)-2-amino-N-[(2-bromophenyl)methyl]-4-phenylbutanamide
CID 104984212
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
CID 61301214
(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
CID 103831227
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-[(2-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 61413925
1-(2-aminohexanoylamino)-3-[(2-chlorophenyl)methyl]urea
CID 11426966
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide
CID 61212479
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]hexanamide?
The IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]hexanamide (CID 61402483) is 2-amino-N-[(2-bromophenyl)methyl]hexanamide.
What is the SMILES notation for 2-amino-N-[(2-bromophenyl)methyl]hexanamide?
The canonical SMILES for 2-amino-N-[(2-bromophenyl)methyl]hexanamide is CCCCC(N)C(=O)NCc1ccccc1Br.
What is the InChIKey of 2-amino-N-[(2-bromophenyl)methyl]hexanamide?
The InChIKey is RPGZFDVFAVQPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-2-3-8-12(15)13(17)16-9-10-6-4-5-7-11(10)14/h4-7,12H,2-3,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[(2-bromophenyl)methyl]hexanamide?
2-amino-N-[(2-bromophenyl)methyl]hexanamide has a molecular weight of 299.21 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromophenyl)methyl]hexanamide is sourced from PubChem (CID 61402483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).