2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide

C21H24F2N2O2 — CID 86903478

IUPAC2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)C2CC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H24F2N2O2/c1-25(2)10-3-11-27-16-7-5-15(6-8-16)24-21(26)18-13-17(18)14-4-9-19(22)20(23)12-14/h4-9,12,17-18H,3,10-11,13H2,1-2H3,(H,24,26)
InChIKeyOMAGDYNUIZRMQT-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.04
Rot. Bonds8

About 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide (PubChem CID 86903478) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide
PubChem CID86903478
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)C2CC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H24F2N2O2/c1-25(2)10-3-11-27-16-7-5-15(6-8-16)24-21(26)18-13-17(18)14-4-9-19(22)20(23)12-14/h4-9,12,17-18H,3,10-11,13H2,1-2H3,(H,24,26)
InChIKeyOMAGDYNUIZRMQT-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-1-methylidene-1,2,6-thiadiazinane-3-carboxamide
CID 142419847
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 96564552
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopent-2-ene-1-carboxamide
CID 79209286
2-(3,4-difluorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119503198
4-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119352986
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 119667750
2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
CID 86794514
trans-(1S,2S)-2-(3,4-difluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 99805849
2-[2-[2-(dimethylamino)ethoxy]-3,4-dimethoxyphenyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 135290074
N-(3-chloro-4-fluorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 135316810

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide (CID 86903478) is 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide is CN(C)CCCOc1ccc(NC(=O)C2CC2c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide?
The InChIKey is OMAGDYNUIZRMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-25(2)10-3-11-27-16-7-5-15(6-8-16)24-21(26)18-13-17(18)14-4-9-19(22)20(23)12-14/h4-9,12,17-18H,3,10-11,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86903478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).