2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide

C12H17ClN2O — CID 81372858

IUPAC2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
SMILESCCC(N[C@@H](C)c1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C12H17ClN2O/c1-3-11(12(14)16)15-8(2)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11?/m0/s1
InChIKeyFZLAJAZMEOGKMC-YMNIQAILSA-N
MW240.73 g/mol
LogP2.25
Rot. Bonds5

About 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide (PubChem CID 81372858) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
PubChem CID81372858
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
SMILESCCC(N[C@@H](C)c1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C12H17ClN2O/c1-3-11(12(14)16)15-8(2)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11?/m0/s1
InChIKeyFZLAJAZMEOGKMC-YMNIQAILSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
2-(1-phenylethylamino)butanamide
CID 62899453
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 43767396
(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide
CID 8599213
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide?
The IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide (CID 81372858) is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide.
What is the SMILES notation for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide?
The canonical SMILES for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide is CCC(N[C@@H](C)c1cccc(Cl)c1)C(N)=O.
What is the InChIKey of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide?
The InChIKey is FZLAJAZMEOGKMC-YMNIQAILSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-11(12(14)16)15-8(2)9-5-4-6-10(13)7-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/t8-,11?/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide?
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide has a molecular weight of 240.73 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide is sourced from PubChem (CID 81372858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).