2-[1-(2-chlorophenyl)ethylamino]butanamide

C12H17ClN2O — CID 62899850

IUPAC2-[1-(2-chlorophenyl)ethylamino]butanamide
SMILESCCC(NC(C)c1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H17ClN2O/c1-3-11(12(14)16)15-8(2)9-6-4-5-7-10(9)13/h4-8,11,15H,3H2,1-2H3,(H2,14,16)
InChIKeyCNMNPVJRAIITCA-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.25
Rot. Bonds5

About 2-[1-(2-chlorophenyl)ethylamino]butanamide

2-[1-(2-chlorophenyl)ethylamino]butanamide (PubChem CID 62899850) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]butanamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]butanamide
PubChem CID62899850
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]butanamide
SMILESCCC(NC(C)c1ccccc1Cl)C(N)=O
InChIInChI=1S/C12H17ClN2O/c1-3-11(12(14)16)15-8(2)9-6-4-5-7-10(9)13/h4-8,11,15H,3H2,1-2H3,(H2,14,16)
InChIKeyCNMNPVJRAIITCA-UHFFFAOYSA-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-(2-methylphenyl)ethyl]amino]butanamide
CID 81375406
2-[1-(2-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77031297
2-(1-phenylethylamino)butanamide
CID 62899453
2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675021
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
CID 81372858
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]butanamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]butanamide (CID 62899850) is 2-[1-(2-chlorophenyl)ethylamino]butanamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]butanamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]butanamide is CCC(NC(C)c1ccccc1Cl)C(N)=O.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]butanamide?
The InChIKey is CNMNPVJRAIITCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-11(12(14)16)15-8(2)9-6-4-5-7-10(9)13/h4-8,11,15H,3H2,1-2H3,(H2,14,16).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]butanamide?
2-[1-(2-chlorophenyl)ethylamino]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-[1-(2-chlorophenyl)ethylamino]butanamide is sourced from PubChem (CID 62899850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).