2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride

C14H19Cl3N2O — CID 119429856

IUPAC2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1CC1c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H18Cl2N2O.ClH/c1-17-5-2-6-18-14(19)12-8-11(12)10-4-3-9(15)7-13(10)16;/h3-4,7,11-12,17H,2,5-6,8H2,1H3,(H,18,19);1H
InChIKeyRMAZOQOZIHYNTE-UHFFFAOYSA-N
MW337.68 g/mol
LogP3.24
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride

2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119429856) has the molecular formula C14H19Cl3N2O and a molecular weight of 337.68 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119429856
Molecular FormulaC14H19Cl3N2O
Molecular Weight337.68 g/mol
Exact Mass336.06
IUPAC Name2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1CC1c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H18Cl2N2O.ClH/c1-17-5-2-6-18-14(19)12-8-11(12)10-4-3-9(15)7-13(10)16;/h3-4,7,11-12,17H,2,5-6,8H2,1H3,(H,18,19);1H
InChIKeyRMAZOQOZIHYNTE-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride (CID 119429856) is 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride is CNCCCNC(=O)C1CC1c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is RMAZOQOZIHYNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O.ClH/c1-17-5-2-6-18-14(19)12-8-11(12)10-4-3-9(15)7-13(10)16;/h3-4,7,11-12,17H,2,5-6,8H2,1H3,(H,18,19);1H.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 337.68 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119429856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).