3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride

C19H24ClFN2O — CID 120610225

IUPAC3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
SMILESCC(C)(CNC(=O)CCc1ccccc1N)c1ccccc1F.Cl
InChIInChI=1S/C19H23FN2O.ClH/c1-19(2,15-8-4-5-9-16(15)20)13-22-18(23)12-11-14-7-3-6-10-17(14)21;/h3-10H,11-13,21H2,1-2H3,(H,22,23);1H
InChIKeyDQQYUCOIVINURU-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.86
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride (PubChem CID 120610225) has the molecular formula C19H24ClFN2O and a molecular weight of 350.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
PubChem CID120610225
Molecular FormulaC19H24ClFN2O
Molecular Weight350.87 g/mol
Exact Mass350.16
IUPAC Name3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
SMILESCC(C)(CNC(=O)CCc1ccccc1N)c1ccccc1F.Cl
InChIInChI=1S/C19H23FN2O.ClH/c1-19(2,15-8-4-5-9-16(15)20)13-22-18(23)12-11-14-7-3-6-10-17(14)21;/h3-10H,11-13,21H2,1-2H3,(H,22,23);1H
InChIKeyDQQYUCOIVINURU-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
CID 120610426
3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride
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3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
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N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
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3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
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3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
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N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
3-(2-aminophenyl)-N-[2-(2-methoxyphenyl)propan-2-yl]propanamide;hydrochloride
CID 120610417
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CID 120609267

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride (CID 120610225) is 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride is CC(C)(CNC(=O)CCc1ccccc1N)c1ccccc1F.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride?
The InChIKey is DQQYUCOIVINURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O.ClH/c1-19(2,15-8-4-5-9-16(15)20)13-22-18(23)12-11-14-7-3-6-10-17(14)21;/h3-10H,11-13,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride is sourced from PubChem (CID 120610225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).