(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide

C12H17BrN2O — CID 96528244

IUPAC(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
SMILESC[C@H](CC(N)=O)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-8(6-12(14)16)15-9(2)10-4-3-5-11(13)7-10/h3-5,7-9,15H,6H2,1-2H3,(H2,14,16)/t8-,9+/m1/s1
InChIKeyIQWUJEXPFVLFLX-BDAKNGLRSA-N
MW285.19 g/mol
LogP2.36
Rot. Bonds5

About (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide

(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide (PubChem CID 96528244) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide.

Molecular Properties

Compound Name(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
PubChem CID96528244
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
SMILESC[C@H](CC(N)=O)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-8(6-12(14)16)15-9(2)10-4-3-5-11(13)7-10/h3-5,7-9,15H,6H2,1-2H3,(H2,14,16)/t8-,9+/m1/s1
InChIKeyIQWUJEXPFVLFLX-BDAKNGLRSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butanamide
CID 115894656
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 115676401
(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
CID 35643780
2-[1-(3-bromophenyl)ethylamino]-2-phenylacetamide
CID 56811839
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
methyl 2-[1-(3-bromophenyl)ethylamino]butanoate
CID 113292365
tert-butyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoate
CID 81375746
3-[1-(4-tert-butylphenyl)ethylamino]butanamide
CID 115676438
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81382107
2-[1-(3-bromophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 60744879

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide?
The IUPAC name of (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide (CID 96528244) is (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide.
What is the SMILES notation for (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide?
The canonical SMILES for (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide is C[C@H](CC(N)=O)N[C@@H](C)c1cccc(Br)c1.
What is the InChIKey of (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide?
The InChIKey is IQWUJEXPFVLFLX-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(6-12(14)16)15-9(2)10-4-3-5-11(13)7-10/h3-5,7-9,15H,6H2,1-2H3,(H2,14,16)/t8-,9+/m1/s1.
What are the key properties of (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide?
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide has a molecular weight of 285.19 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide is sourced from PubChem (CID 96528244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).