N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide

C20H20F2N2O — CID 59661822

IUPACN-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide
SMILESCc1ccc(F)c(F)c1/C(=N/CC1CC1)NC(=O)Cc1ccccc1
InChIInChI=1S/C20H20F2N2O/c1-13-7-10-16(21)19(22)18(13)20(23-12-15-8-9-15)24-17(25)11-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,23,24,25)
InChIKeyOVTAIZSAMOVNOH-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.79
Rot. Bonds5

About N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide

N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide (PubChem CID 59661822) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide
PubChem CID59661822
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC NameN-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide
SMILESCc1ccc(F)c(F)c1/C(=N/CC1CC1)NC(=O)Cc1ccccc1
InChIInChI=1S/C20H20F2N2O/c1-13-7-10-16(21)19(22)18(13)20(23-12-15-8-9-15)24-17(25)11-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,23,24,25)
InChIKeyOVTAIZSAMOVNOH-UHFFFAOYSA-N
XLogP3.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.79
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-(2-cyclopropylethyl)-C-[6-(2,2-difluoroethyl)-2,3-difluorophenyl]carbonimidoyl]-2-phenylacetamide
CID 59378100

Frequently Asked Questions

What is the IUPAC name of N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide?
The IUPAC name of N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide (CID 59661822) is N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide.
What is the SMILES notation for N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide?
The canonical SMILES for N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide is Cc1ccc(F)c(F)c1/C(=N/CC1CC1)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide?
The InChIKey is OVTAIZSAMOVNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-13-7-10-16(21)19(22)18(13)20(23-12-15-8-9-15)24-17(25)11-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,23,24,25).
What are the key properties of N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide?
N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide has a molecular weight of 342.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(cyclopropylmethyl)-C-(2,3-difluoro-6-methylphenyl)carbonimidoyl]-2-phenylacetamide is sourced from PubChem (CID 59661822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).