N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide

C25H17F4N3O — CID 170144431

IUPACN-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C25H17F4N3O/c26-21-14-20(22(27)24(29)23(21)28)25(33)32-19-12-10-18(11-13-19)31-17-8-6-16(7-9-17)30-15-4-2-1-3-5-15/h1-14,30-31H,(H,32,33)
InChIKeyWOXJBHGDNAUUCU-UHFFFAOYSA-N
MW451.42 g/mol
LogP6.98
Rot. Bonds6

About N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide

N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 170144431) has the molecular formula C25H17F4N3O and a molecular weight of 451.42 g/mol. Its IUPAC name is N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID170144431
Molecular FormulaC25H17F4N3O
Molecular Weight451.42 g/mol
Exact Mass451.13
IUPAC NameN-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C25H17F4N3O/c26-21-14-20(22(27)24(29)23(21)28)25(33)32-19-12-10-18(11-13-19)31-17-8-6-16(7-9-17)30-15-4-2-1-3-5-15/h1-14,30-31H,(H,32,33)
InChIKeyWOXJBHGDNAUUCU-UHFFFAOYSA-N
XLogP6.98
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.42
LogP ≤ 56.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
2,3,4,5-tetrafluoro-N-[3-[(2,3,4,5-tetrafluorobenzoyl)amino]naphthalen-2-yl]benzamide
CID 3686160
2-benzoyl-4,5-difluoro-N-phenylbenzamide
CID 70149608
N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
N-(2-benzoylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4027115
2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18208238
2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 88891604
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide (CID 170144431) is N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide is O=C(Nc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is WOXJBHGDNAUUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4N3O/c26-21-14-20(22(27)24(29)23(21)28)25(33)32-19-12-10-18(11-13-19)31-17-8-6-16(7-9-17)30-15-4-2-1-3-5-15/h1-14,30-31H,(H,32,33).
What are the key properties of N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide?
N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide has a molecular weight of 451.42 g/mol, XLogP of 6.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 170144431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).