N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

C18H19ClF2N2O — CID 119548350

IUPACN-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2CC2c2c(F)cccc2F)cc1
InChIInChI=1S/C18H18F2N2O.ClH/c19-15-2-1-3-16(20)17(15)13-10-14(13)18(23)22-9-8-11-4-6-12(21)7-5-11;/h1-7,13-14H,8-10,21H2,(H,22,23);1H
InChIKeyCMZICSIYIWLMBR-UHFFFAOYSA-N
MW352.81 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119548350) has the molecular formula C18H19ClF2N2O and a molecular weight of 352.81 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119548350
Molecular FormulaC18H19ClF2N2O
Molecular Weight352.81 g/mol
Exact Mass352.12
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2CC2c2c(F)cccc2F)cc1
InChIInChI=1S/C18H18F2N2O.ClH/c19-15-2-1-3-16(20)17(15)13-10-14(13)18(23)22-9-8-11-4-6-12(21)7-5-11;/h1-7,13-14H,8-10,21H2,(H,22,23);1H
InChIKeyCMZICSIYIWLMBR-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 53.43
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

3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264
N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119620062
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119433671
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
CID 95770541
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
trans-(1S,2S)-2-(2,6-difluorophenyl)-N-[2-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 99294319
2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 111471310
N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119586711
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119548350) is N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)C2CC2c2c(F)cccc2F)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is CMZICSIYIWLMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O.ClH/c19-15-2-1-3-16(20)17(15)13-10-14(13)18(23)22-9-8-11-4-6-12(21)7-5-11;/h1-7,13-14H,8-10,21H2,(H,22,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 352.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119548350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).