3-amino-N-[(2-bromophenyl)methyl]butanamide

C11H15BrN2O — CID 61402410

IUPAC3-amino-N-[(2-bromophenyl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c1-8(13)6-11(15)14-7-9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyWMVXXNDHVXXOTM-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.80
Rot. Bonds4

About 3-amino-N-[(2-bromophenyl)methyl]butanamide

3-amino-N-[(2-bromophenyl)methyl]butanamide (PubChem CID 61402410) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-amino-N-[(2-bromophenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(2-bromophenyl)methyl]butanamide
PubChem CID61402410
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-amino-N-[(2-bromophenyl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c1-8(13)6-11(15)14-7-9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyWMVXXNDHVXXOTM-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
2-amino-N-[(2-bromophenyl)methyl]hexanamide
CID 61402483
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777822
N-[(2-bromophenyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107024172
(2S)-2-amino-N-[(2-bromophenyl)methyl]-4-phenylbutanamide
CID 104984212
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]butanamide (CID 61402410) is 3-amino-N-[(2-bromophenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(2-bromophenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(2-bromophenyl)methyl]butanamide is CC(N)CC(=O)NCc1ccccc1Br.
What is the InChIKey of 3-amino-N-[(2-bromophenyl)methyl]butanamide?
The InChIKey is WMVXXNDHVXXOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(13)6-11(15)14-7-9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-[(2-bromophenyl)methyl]butanamide?
3-amino-N-[(2-bromophenyl)methyl]butanamide has a molecular weight of 271.16 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-bromophenyl)methyl]butanamide is sourced from PubChem (CID 61402410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).