2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide

C22H16F4N2O4 — CID 1014494

IUPAC2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2c(F)c(F)c(C(=O)Nc3ccc(OC)cc3)c(F)c2F)cc1
InChIInChI=1S/C22H16F4N2O4/c1-31-13-7-3-11(4-8-13)27-21(29)15-17(23)19(25)16(20(26)18(15)24)22(30)28-12-5-9-14(32-2)10-6-12/h3-10H,1-2H3,(H,27,29)(H,28,30)
InChIKeyQJCWMDPVPFCPRF-UHFFFAOYSA-N
MW448.37 g/mol
LogP4.76
Rot. Bonds6

About 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide

2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 1014494) has the molecular formula C22H16F4N2O4 and a molecular weight of 448.37 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID1014494
Molecular FormulaC22H16F4N2O4
Molecular Weight448.37 g/mol
Exact Mass448.10
IUPAC Name2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2c(F)c(F)c(C(=O)Nc3ccc(OC)cc3)c(F)c2F)cc1
InChIInChI=1S/C22H16F4N2O4/c1-31-13-7-3-11(4-8-13)27-21(29)15-17(23)19(25)16(20(26)18(15)24)22(30)28-12-5-9-14(32-2)10-6-12/h3-10H,1-2H3,(H,27,29)(H,28,30)
InChIKeyQJCWMDPVPFCPRF-UHFFFAOYSA-N
XLogP4.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.37
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110623
2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4135318
[2-fluoro-3-[(4-methoxyphenyl)carbamoyl]phenyl]boronic acid
CID 99738152
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 40950429
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide (CID 1014494) is 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2c(F)c(F)c(C(=O)Nc3ccc(OC)cc3)c(F)c2F)cc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is QJCWMDPVPFCPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N2O4/c1-31-13-7-3-11(4-8-13)27-21(29)15-17(23)19(25)16(20(26)18(15)24)22(30)28-12-5-9-14(32-2)10-6-12/h3-10H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide?
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 448.37 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 1014494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).