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

C12H17BrN2O — CID 81397158

IUPAC2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
SMILESCCC(N)C(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-11(14)12(16)15-8(2)9-6-4-5-7-10(9)13/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1
InChIKeyXLFDAXHPKKRAHK-YMNIQAILSA-N
MW285.19 g/mol
LogP2.36
Rot. Bonds4

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

2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide (PubChem CID 81397158) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
PubChem CID81397158
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
SMILESCCC(N)C(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-11(14)12(16)15-8(2)9-6-4-5-7-10(9)13/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1
InChIKeyXLFDAXHPKKRAHK-YMNIQAILSA-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

2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
CID 43701793
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 81397513
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-methylsulfonylpropanamide
CID 122144544
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide (CID 81397158) is 2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide is CCC(N)C(=O)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of 2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide?
The InChIKey is XLFDAXHPKKRAHK-YMNIQAILSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-11(14)12(16)15-8(2)9-6-4-5-7-10(9)13/h4-8,11H,3,14H2,1-2H3,(H,15,16)/t8-,11?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide?
2-amino-N-[(1S)-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 2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide is sourced from PubChem (CID 81397158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).