N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride

C19H24Cl2N2O — CID 119547992

IUPACN-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C19H23ClN2O.ClH/c1-19(2,13-15-4-3-5-16(20)12-15)18(23)22-11-10-14-6-8-17(21)9-7-14;/h3-9,12H,10-11,13,21H2,1-2H3,(H,22,23);1H
InChIKeyNTLWGTPONKKYFA-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119547992) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID119547992
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C19H23ClN2O.ClH/c1-19(2,13-15-4-3-5-16(20)12-15)18(23)22-11-10-14-6-8-17(21)9-7-14;/h3-9,12H,10-11,13,21H2,1-2H3,(H,22,23);1H
InChIKeyNTLWGTPONKKYFA-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226
N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride
CID 119548327
3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide
CID 84586418
3-(3-chlorophenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2,2-dimethylpropanamide
CID 97028633
3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
CID 111975796
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119547500
2-(3-chlorophenyl)ethylurea
CID 127513466
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
2-amino-N-[2-(4-chlorophenyl)ethyl]-2-ethylbutanamide
CID 79813408

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride (CID 119547992) is N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride is CC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is NTLWGTPONKKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O.ClH/c1-19(2,13-15-4-3-5-16(20)12-15)18(23)22-11-10-14-6-8-17(21)9-7-14;/h3-9,12H,10-11,13,21H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 367.32 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119547992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).