N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide

C13H18Cl2N2O — CID 141089706

IUPACN-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide
SMILESCC(CC(=O)NCCCN)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(8-12(18)17-7-3-6-16)10-4-2-5-11(14)13(10)15/h2,4-5,9H,3,6-8,16H2,1H3,(H,17,18)
InChIKeyVEUHEQFIXQDQRY-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.95
Rot. Bonds6

About N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide

N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide (PubChem CID 141089706) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide
PubChem CID141089706
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide
SMILESCC(CC(=O)NCCCN)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(8-12(18)17-7-3-6-16)10-4-2-5-11(14)13(10)15/h2,4-5,9H,3,6-8,16H2,1H3,(H,17,18)
InChIKeyVEUHEQFIXQDQRY-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119408524
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
N-(3-aminopropyl)-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119405227
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentanoic acid
CID 69269444
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 103778315
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide?
The IUPAC name of N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide (CID 141089706) is N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide is CC(CC(=O)NCCCN)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide?
The InChIKey is VEUHEQFIXQDQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(8-12(18)17-7-3-6-16)10-4-2-5-11(14)13(10)15/h2,4-5,9H,3,6-8,16H2,1H3,(H,17,18).
What are the key properties of N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide?
N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide has a molecular weight of 289.21 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide is sourced from PubChem (CID 141089706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).