N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

C16H23ClF2N2O — CID 119641296

IUPACN-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-3-16(19,4-2)9-20-15(21)11-8-10(11)14-12(17)6-5-7-13(14)18;/h5-7,10-11H,3-4,8-9,19H2,1-2H3,(H,20,21);1H
InChIKeyCRFIRVICJBLLOV-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.12
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119641296) has the molecular formula C16H23ClF2N2O and a molecular weight of 332.82 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119641296
Molecular FormulaC16H23ClF2N2O
Molecular Weight332.82 g/mol
Exact Mass332.15
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC1c1c(F)cccc1F.Cl
InChIInChI=1S/C16H22F2N2O.ClH/c1-3-16(19,4-2)9-20-15(21)11-8-10(11)14-12(17)6-5-7-13(14)18;/h5-7,10-11H,3-4,8-9,19H2,1-2H3,(H,20,21);1H
InChIKeyCRFIRVICJBLLOV-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

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CID 44250174
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119641296) is N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1CC1c1c(F)cccc1F.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is CRFIRVICJBLLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O.ClH/c1-3-16(19,4-2)9-20-15(21)11-8-10(11)14-12(17)6-5-7-13(14)18;/h5-7,10-11H,3-4,8-9,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 332.82 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119641296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).