N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide

C22H22F4N2O — CID 59378100

IUPACN-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/C(=N\CCC1CC1)c1c(CC(F)F)ccc(F)c1F
InChIInChI=1S/C22H22F4N2O/c23-17-9-8-16(13-18(24)25)20(21(17)26)22(27-11-10-14-6-7-14)28-19(29)12-15-4-2-1-3-5-15/h1-5,8-9,14,18H,6-7,10-13H2,(H,27,28,29)
InChIKeyUZAZRQRYNFHSDW-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.68
Rot. Bonds8

About N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide

N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide (PubChem CID 59378100) has the molecular formula C22H22F4N2O and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide
PubChem CID59378100
Molecular FormulaC22H22F4N2O
Molecular Weight406.42 g/mol
Exact Mass406.17
IUPAC NameN-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/C(=N\CCC1CC1)c1c(CC(F)F)ccc(F)c1F
InChIInChI=1S/C22H22F4N2O/c23-17-9-8-16(13-18(24)25)20(21(17)26)22(27-11-10-14-6-7-14)28-19(29)12-15-4-2-1-3-5-15/h1-5,8-9,14,18H,6-7,10-13H2,(H,27,28,29)
InChIKeyUZAZRQRYNFHSDW-UHFFFAOYSA-N
XLogP4.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Cyflufenamid
CID 135515530
N-(((Cyclopropylmethoxy)imino)(2,3-difluoro-6-(trifluoromethyl)phenyl)methyl)-2-phenylacetamide
CID 136257767
N-{(Z)-[(cyclopropylmethoxy)amino][2,3-difluoro-6-(trifluoromethyl)phenyl]methylene}-2-phenylacetamide
CID 135973506
N-(cyclopropylmethoxy)-N-[2,3-difluoro-6-(trifluoromethyl)benzenecarboximidoyl]-2-phenylacetamide
CID 17898972
3-(2,4-Difluorophenyl)-7-[4-(trifluoromethyl)phenyl]-2,4-diazabicyclo[4.1.0]hept-2-en-5-one
CID 46216086
3,7-Bis[4-(trifluoromethyl)phenyl]-2,4-diazabicyclo[4.1.0]hept-2-en-5-one
CID 46216245
N-[amino-[2,3-difluoro-6-(trifluoromethyl)phenyl]methylidene]-2-phenylacetamide
CID 57295610
2-fluoro-N-[3-(3H-isoindol-1-ylamino)propyl]benzamide
CID 58726914
2-fluoro-N-[2-(3H-isoindol-1-ylamino)ethyl]benzamide
CID 58727054
4-fluoro-N-[3-(3H-isoindol-1-ylamino)propyl]benzamide
CID 58727087
4-fluoro-N-[2-(3H-isoindol-1-ylamino)ethyl]benzamide
CID 58727293
N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide
CID 59661822

Frequently Asked Questions

What is the IUPAC name of N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide?
The IUPAC name of N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide (CID 59378100) is N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide.
What is the SMILES notation for N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide?
The canonical SMILES for N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide is O=C(Cc1ccccc1)N/C(=N\CCC1CC1)c1c(CC(F)F)ccc(F)c1F.
What is the InChIKey of N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide?
The InChIKey is UZAZRQRYNFHSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N2O/c23-17-9-8-16(13-18(24)25)20(21(17)26)22(27-11-10-14-6-7-14)28-19(29)12-15-4-2-1-3-5-15/h1-5,8-9,14,18H,6-7,10-13H2,(H,27,28,29).
What are the key properties of N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide?
N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide has a molecular weight of 406.42 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide is sourced from PubChem (CID 59378100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).