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

C18H21Cl2FN2O — CID 119786039

IUPAC2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C18H20ClFN2O.ClH/c1-18(2,15-8-5-13(20)10-16(15)19)11-22-17(23)9-12-3-6-14(21)7-4-12;/h3-8,10H,9,11,21H2,1-2H3,(H,22,23);1H
InChIKeyCAXLXNHYYSMTLQ-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.12
Rot. Bonds5

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

2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride (PubChem CID 119786039) has the molecular formula C18H21Cl2FN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
PubChem CID119786039
Molecular FormulaC18H21Cl2FN2O
Molecular Weight371.28 g/mol
Exact Mass370.10
IUPAC Name2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C18H20ClFN2O.ClH/c1-18(2,15-8-5-13(20)10-16(15)19)11-22-17(23)9-12-3-6-14(21)7-4-12;/h3-8,10H,9,11,21H2,1-2H3,(H,22,23);1H
InChIKeyCAXLXNHYYSMTLQ-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.12
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

2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
2-(4-aminophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119738044
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
CID 119325016
2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid
CID 146092760
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786059
3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119786045
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325005
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939
(2S)-2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide
CID 119325004
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride (CID 119786039) is 2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride is CC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The InChIKey is CAXLXNHYYSMTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O.ClH/c1-18(2,15-8-5-13(20)10-16(15)19)11-22-17(23)9-12-3-6-14(21)7-4-12;/h3-8,10H,9,11,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride has a molecular weight of 371.28 g/mol, XLogP of 4.12, 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-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 119786039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).