N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide

C19H26F2N2O — CID 119620062

IUPACN-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCNC1CCCCCC1)C1CC1c1c(F)cccc1F
InChIInChI=1S/C19H26F2N2O/c20-16-8-5-9-17(21)18(16)14-12-15(14)19(24)23-11-10-22-13-6-3-1-2-4-7-13/h5,8-9,13-15,22H,1-4,6-7,10-12H2,(H,23,24)
InChIKeyMAKABTAYPSOPDT-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide

N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 119620062) has the molecular formula C19H26F2N2O and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID119620062
Molecular FormulaC19H26F2N2O
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCNC1CCCCCC1)C1CC1c1c(F)cccc1F
InChIInChI=1S/C19H26F2N2O/c20-16-8-5-9-17(21)18(16)14-12-15(14)19(24)23-11-10-22-13-6-3-1-2-4-7-13/h5,8-9,13-15,22H,1-4,6-7,10-12H2,(H,23,24)
InChIKeyMAKABTAYPSOPDT-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide
CID 69221581
2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 111471310
N-(2-amino-1-cyclohexylethyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119590223
N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548350
trans-(1S,2S)-2-(2,6-difluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 97010636
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
CID 95770541
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide (CID 119620062) is N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide is O=C(NCCNC1CCCCCC1)C1CC1c1c(F)cccc1F.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MAKABTAYPSOPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O/c20-16-8-5-9-17(21)18(16)14-12-15(14)19(24)23-11-10-22-13-6-3-1-2-4-7-13/h5,8-9,13-15,22H,1-4,6-7,10-12H2,(H,23,24).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119620062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).