3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride

C16H23Cl2FN2O — CID 119786045

IUPAC3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCC(N)C1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C16H22ClFN2O.ClH/c1-16(2,13-6-4-11(18)8-14(13)17)9-20-15(21)10-3-5-12(19)7-10;/h4,6,8,10,12H,3,5,7,9,19H2,1-2H3,(H,20,21);1H
InChIKeyUNWMUWGOCXQQPR-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.42
Rot. Bonds4

About 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119786045) has the molecular formula C16H23Cl2FN2O and a molecular weight of 349.28 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119786045
Molecular FormulaC16H23Cl2FN2O
Molecular Weight349.28 g/mol
Exact Mass348.12
IUPAC Name3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCC(N)C1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C16H22ClFN2O.ClH/c1-16(2,13-6-4-11(18)8-14(13)17)9-20-15(21)10-3-5-12(19)7-10;/h4,6,8,10,12H,3,5,7,9,19H2,1-2H3,(H,20,21);1H
InChIKeyUNWMUWGOCXQQPR-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 146131621
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786059
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786052
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea
CID 111122934
N-[2-[[N'-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111569215
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119777599
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988953
3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 130551930
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride (CID 119786045) is 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride is CC(C)(CNC(=O)C1CCC(N)C1)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is UNWMUWGOCXQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O.ClH/c1-16(2,13-6-4-11(18)8-14(13)17)9-20-15(21)10-3-5-12(19)7-10;/h4,6,8,10,12H,3,5,7,9,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 349.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119786045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).