N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline

C25H20F2N2O — CID 4171235

IUPACN-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline
SMILESCC(=NN(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1OC(F)F
InChIInChI=1S/C25H20F2N2O/c1-18(22-17-16-19-10-8-9-15-23(19)24(22)30-25(26)27)28-29(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-17,25H,1H3
InChIKeyKFUGICUIOLQEBU-UHFFFAOYSA-N
MW402.44 g/mol
LogP7.00
Rot. Bonds6

About N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline

N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline (PubChem CID 4171235) has the molecular formula C25H20F2N2O and a molecular weight of 402.44 g/mol. Its IUPAC name is N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline
PubChem CID4171235
Molecular FormulaC25H20F2N2O
Molecular Weight402.44 g/mol
Exact Mass402.15
IUPAC NameN-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline
SMILESCC(=NN(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1OC(F)F
InChIInChI=1S/C25H20F2N2O/c1-18(22-17-16-19-10-8-9-15-23(19)24(22)30-25(26)27)28-29(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-17,25H,1H3
InChIKeyKFUGICUIOLQEBU-UHFFFAOYSA-N
XLogP7.00
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.44
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
CID 4051864
3-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 4040379
1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
CID 143253129
2-(difluoromethoxy)naphthalen-1-amine;ethane
CID 142518734
(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine
CID 114525509
2-(2-acetylnaphthalen-1-yl)oxypropanenitrile
CID 54941657
[2-(difluoromethoxy)naphthalen-1-yl]methanol
CID 43394581
(NE)-N-[1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethylidene]hydroxylamine
CID 43560439
copper 2-[(E)-C-methyl-N-[2-[(E)-1-(1-oxidonaphthalen-2-yl)ethylideneamino]oxyethoxy]carbonimidoyl]naphthalen-1-olate
CID 139076745
2-(C,N-dimethylcarbonimidoyl)naphthalen-1-ol
CID 135790005
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-(1-difluoroboranyloxynaphthalen-2-yl)ethanone
CID 613064

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline?
The IUPAC name of N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline (CID 4171235) is N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline?
The canonical SMILES for N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline is CC(=NN(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1OC(F)F.
What is the InChIKey of N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline?
The InChIKey is KFUGICUIOLQEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O/c1-18(22-17-16-19-10-8-9-15-23(19)24(22)30-25(26)27)28-29(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-17,25H,1H3.
What are the key properties of N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline?
N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline has a molecular weight of 402.44 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-N-phenylaniline is sourced from PubChem (CID 4171235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).