2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride

C18H22Cl2N2O — CID 119738044

IUPAC2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-18(2,14-5-7-15(19)8-6-14)12-21-17(22)11-13-3-9-16(20)10-4-13;/h3-10H,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyGELRSVQHKPKHJT-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride

2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride (PubChem CID 119738044) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
PubChem CID119738044
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-18(2,14-5-7-15(19)8-6-14)12-21-17(22)11-13-3-9-16(20)10-4-13;/h3-10H,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyGELRSVQHKPKHJT-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.98
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

N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120624182
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
2-(4-aminophenyl)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820240

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride (CID 119738044) is 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride is CC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The InChIKey is GELRSVQHKPKHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O.ClH/c1-18(2,14-5-7-15(19)8-6-14)12-21-17(22)11-13-3-9-16(20)10-4-13;/h3-10H,11-12,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride has a molecular weight of 353.29 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 119738044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).