2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline

C15H14F2N2 — CID 9058434

IUPAC2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline
SMILESC[C@@H](/C=N\Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2/c1-11(12-5-3-2-4-6-12)10-18-19-15-8-7-13(16)9-14(15)17/h2-11,19H,1H3/b18-10-/t11-/m0/s1
InChIKeyXZGDGRFIKYCLDZ-TZQXVGBESA-N
MW260.29 g/mol
LogP4.17
Rot. Bonds4

About 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline

2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline (PubChem CID 9058434) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline
PubChem CID9058434
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC Name2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline
SMILESC[C@@H](/C=N\Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2/c1-11(12-5-3-2-4-6-12)10-18-19-15-8-7-13(16)9-14(15)17/h2-11,19H,1H3/b18-10-/t11-/m0/s1
InChIKeyXZGDGRFIKYCLDZ-TZQXVGBESA-N
XLogP4.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-phenylpropylideneamino)aniline
CID 84902614
2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline
CID 6903041
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125
3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559
N-benzhydryl-2,4-difluoroaniline
CID 82096621
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
CID 5195808

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline?
The IUPAC name of 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline (CID 9058434) is 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline?
The canonical SMILES for 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline is C[C@@H](/C=N\Nc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline?
The InChIKey is XZGDGRFIKYCLDZ-TZQXVGBESA-N. The full InChI is InChI=1S/C15H14F2N2/c1-11(12-5-3-2-4-6-12)10-18-19-15-8-7-13(16)9-14(15)17/h2-11,19H,1H3/b18-10-/t11-/m0/s1.
What are the key properties of 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline?
2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline has a molecular weight of 260.29 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline is sourced from PubChem (CID 9058434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).