2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide

C21H14F4N2O3 — CID 134097670

IUPAC2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2c(F)c(F)cc(F)c2F)ccc1-c1ccccc1
InChIInChI=1S/C21H14F4N2O3/c1-30-16-9-12(7-8-13(16)11-5-3-2-4-6-11)26-21(29)27-20(28)17-18(24)14(22)10-15(23)19(17)25/h2-10H,1H3,(H2,26,27,28,29)
InChIKeyRXLGGPYUZPTADL-UHFFFAOYSA-N
MW418.35 g/mol
LogP4.88
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide

2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide (PubChem CID 134097670) has the molecular formula C21H14F4N2O3 and a molecular weight of 418.35 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
PubChem CID134097670
Molecular FormulaC21H14F4N2O3
Molecular Weight418.35 g/mol
Exact Mass418.09
IUPAC Name2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2c(F)c(F)cc(F)c2F)ccc1-c1ccccc1
InChIInChI=1S/C21H14F4N2O3/c1-30-16-9-12(7-8-13(16)11-5-3-2-4-6-11)26-21(29)27-20(28)17-18(24)14(22)10-15(23)19(17)25/h2-10H,1H3,(H2,26,27,28,29)
InChIKeyRXLGGPYUZPTADL-UHFFFAOYSA-N
XLogP4.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134104722
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134087466
2,3,4,5,6-pentafluoro-N-[[3-methoxy-4-[2-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134111155
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2-methoxy-N-[(4-phenyl-3-propan-2-ylphenyl)carbamoyl]benzamide
CID 70689618
2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134097756
N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide
CID 134104747
2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 134113957
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198
2,6-difluoro-N-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134101620
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide (CID 134097670) is 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide is COc1cc(NC(=O)NC(=O)c2c(F)c(F)cc(F)c2F)ccc1-c1ccccc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide?
The InChIKey is RXLGGPYUZPTADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O3/c1-30-16-9-12(7-8-13(16)11-5-3-2-4-6-11)26-21(29)27-20(28)17-18(24)14(22)10-15(23)19(17)25/h2-10H,1H3,(H2,26,27,28,29).
What are the key properties of 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide?
2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide has a molecular weight of 418.35 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide is sourced from PubChem (CID 134097670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).