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3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride

C18H22Cl2N2O — CID 120609034

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-2-21(13-14-6-5-8-16(19)12-14)18(22)11-10-15-7-3-4-9-17(15)20;/h3-9,12H,2,10-11,13,20H2,1H3;1H
InChIKeyMMBLCDRADPAGAI-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.33
Rot. Bonds6

About 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride

3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride (PubChem CID 120609034) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
PubChem CID120609034
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-2-21(13-14-6-5-8-16(19)12-14)18(22)11-10-15-7-3-4-9-17(15)20;/h3-9,12H,2,10-11,13,20H2,1H3;1H
InChIKeyMMBLCDRADPAGAI-UHFFFAOYSA-N
XLogP4.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride (CID 120609034) is 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride is CCN(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
The InChIKey is MMBLCDRADPAGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O.ClH/c1-2-21(13-14-6-5-8-16(19)12-14)18(22)11-10-15-7-3-4-9-17(15)20;/h3-9,12H,2,10-11,13,20H2,1H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride has a molecular weight of 353.29 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride is sourced from PubChem (CID 120609034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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