6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane

C20H22F3N3 — CID 143879920

IUPAC6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane
SMILESCC.Cc1ccc(Nc2c(NNC3=CC=CC3)ccc(F)c2F)c(F)c1
InChIInChI=1S/C18H16F3N3.C2H6/c1-11-6-8-15(14(20)10-11)22-18-16(9-7-13(19)17(18)21)24-23-12-4-2-3-5-12;1-2/h2-4,6-10,22-24H,5H2,1H3;1-2H3
InChIKeyHMSJYBNWPVCUMV-UHFFFAOYSA-N
MW361.41 g/mol
LogP5.94
Rot. Bonds5

About 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane

6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane (PubChem CID 143879920) has the molecular formula C20H22F3N3 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane.

Molecular Properties

Compound Name6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane
PubChem CID143879920
Molecular FormulaC20H22F3N3
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane
SMILESCC.Cc1ccc(Nc2c(NNC3=CC=CC3)ccc(F)c2F)c(F)c1
InChIInChI=1S/C18H16F3N3.C2H6/c1-11-6-8-15(14(20)10-11)22-18-16(9-7-13(19)17(18)21)24-23-12-4-2-3-5-12;1-2/h2-4,6-10,22-24H,5H2,1H3;1-2H3
InChIKeyHMSJYBNWPVCUMV-UHFFFAOYSA-N
XLogP5.94
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.41
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 143758150
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane
CID 143879990
1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 143399809
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzaldehyde;ethane;1-methylazetidin-3-ol;piperidine
CID 166162308
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 176938871
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 164903450

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane?
The IUPAC name of 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane (CID 143879920) is 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane.
What is the SMILES notation for 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane?
The canonical SMILES for 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane is CC.Cc1ccc(Nc2c(NNC3=CC=CC3)ccc(F)c2F)c(F)c1.
What is the InChIKey of 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane?
The InChIKey is HMSJYBNWPVCUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3.C2H6/c1-11-6-8-15(14(20)10-11)22-18-16(9-7-13(19)17(18)21)24-23-12-4-2-3-5-12;1-2/h2-4,6-10,22-24H,5H2,1H3;1-2H3.
What are the key properties of 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane?
6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane has a molecular weight of 361.41 g/mol, XLogP of 5.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopenta-1,3-dien-1-ylhydrazinyl)-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;ethane is sourced from PubChem (CID 143879920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).