N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide

C15H23ClN2O — CID 60719366

IUPACN-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-5-10(2)17-15(19)12(4)18-11(3)13-7-6-8-14(16)9-13/h6-12,18H,5H2,1-4H3,(H,17,19)
InChIKeyBHQBPJYVOBGHHJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.29
Rot. Bonds6

About N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide

N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide (PubChem CID 60719366) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
PubChem CID60719366
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-5-10(2)17-15(19)12(4)18-11(3)13-7-6-8-14(16)9-13/h6-12,18H,5H2,1-4H3,(H,17,19)
InChIKeyBHQBPJYVOBGHHJ-UHFFFAOYSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-bromophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 60744879
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81382107
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
CID 81372858
2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide
CID 46667108
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 112810932
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 81371173

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide?
The IUPAC name of N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide (CID 60719366) is N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide is CCC(C)NC(=O)C(C)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide?
The InChIKey is BHQBPJYVOBGHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-10(2)17-15(19)12(4)18-11(3)13-7-6-8-14(16)9-13/h6-12,18H,5H2,1-4H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide?
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide has a molecular weight of 282.81 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 60719366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).