2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide

C14H18F2N2O — CID 119431264

IUPAC2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
SMILESCNCCCNC(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C14H18F2N2O/c1-17-6-3-7-18-14(19)10-8-9(10)13-11(15)4-2-5-12(13)16/h2,4-5,9-10,17H,3,6-8H2,1H3,(H,18,19)
InChIKeyQFMFJPZRFIDGCM-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.79
Rot. Bonds6

About 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide

2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide (PubChem CID 119431264) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
PubChem CID119431264
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
SMILESCNCCCNC(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C14H18F2N2O/c1-17-6-3-7-18-14(19)10-8-9(10)13-11(15)4-2-5-12(13)16/h2,4-5,9-10,17H,3,6-8H2,1H3,(H,18,19)
InChIKeyQFMFJPZRFIDGCM-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.79
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

2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119433671
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012
N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119620062
2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119429856
N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548350
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[3-oxo-3-(pyridin-4-ylamino)propyl]cyclopropane-1-carboxamide
CID 95770541
2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
CID 78854955
2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 111471310
2-(2,6-difluorophenyl)-N-[(1-methoxy-4-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 119037025

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide (CID 119431264) is 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide is CNCCCNC(=O)C1CC1c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide?
The InChIKey is QFMFJPZRFIDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-17-6-3-7-18-14(19)10-8-9(10)13-11(15)4-2-5-12(13)16/h2,4-5,9-10,17H,3,6-8H2,1H3,(H,18,19).
What are the key properties of 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide?
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119431264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).