2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide

C13H18Cl2N2O — CID 61249825

IUPAC2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-3-4-12(16)13(18)17-8(2)9-5-6-10(14)11(15)7-9/h5-8,12H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyNZZFSCZICRBRFM-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.30
Rot. Bonds5

About 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide

2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide (PubChem CID 61249825) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
PubChem CID61249825
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-3-4-12(16)13(18)17-8(2)9-5-6-10(14)11(15)7-9/h5-8,12H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyNZZFSCZICRBRFM-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
3-amino-4-[1-(3,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 64896143
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249265
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide
CID 43708555
(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
CID 103794953

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide (CID 61249825) is 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide?
The InChIKey is NZZFSCZICRBRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-3-4-12(16)13(18)17-8(2)9-5-6-10(14)11(15)7-9/h5-8,12H,3-4,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide?
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide has a molecular weight of 289.21 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide is sourced from PubChem (CID 61249825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).