3-amino-N-[1-(2-bromophenyl)ethyl]butanamide

C12H17BrN2O — CID 60837651

IUPAC3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-8(14)7-12(16)15-9(2)10-5-3-4-6-11(10)13/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyLMPBMJLXVBGJCG-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.36
Rot. Bonds4

About 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide

3-amino-N-[1-(2-bromophenyl)ethyl]butanamide (PubChem CID 60837651) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
PubChem CID60837651
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-8(14)7-12(16)15-9(2)10-5-3-4-6-11(10)13/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyLMPBMJLXVBGJCG-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-5,5-dimethylhexanamide
CID 104867337
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51195725
(2S)-2-amino-N-[2-[1-(2-bromophenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82963456
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123169

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide (CID 60837651) is 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide is CC(N)CC(=O)NC(C)c1ccccc1Br.
What is the InChIKey of 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide?
The InChIKey is LMPBMJLXVBGJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(14)7-12(16)15-9(2)10-5-3-4-6-11(10)13/h3-6,8-9H,7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide?
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide has a molecular weight of 285.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-bromophenyl)ethyl]butanamide is sourced from PubChem (CID 60837651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).