2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide

C21H16F2N2O3 — CID 134104722

IUPAC2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)ccc1-c1ccccc1
InChIInChI=1S/C21H16F2N2O3/c1-28-19-12-15(8-10-16(19)13-5-3-2-4-6-13)24-21(27)25-20(26)17-9-7-14(22)11-18(17)23/h2-12H,1H3,(H2,24,25,26,27)
InChIKeyFCDLEQOIDXPMAI-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.60
Rot. Bonds4

About 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide

2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide (PubChem CID 134104722) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
PubChem CID134104722
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
SMILESCOc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)ccc1-c1ccccc1
InChIInChI=1S/C21H16F2N2O3/c1-28-19-12-15(8-10-16(19)13-5-3-2-4-6-13)24-21(27)25-20(26)17-9-7-14(22)11-18(17)23/h2-12H,1H3,(H2,24,25,26,27)
InChIKeyFCDLEQOIDXPMAI-UHFFFAOYSA-N
XLogP4.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide (CID 134104722) is 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide is COc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)ccc1-c1ccccc1.
What is the InChIKey of 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide?
The InChIKey is FCDLEQOIDXPMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c1-28-19-12-15(8-10-16(19)13-5-3-2-4-6-13)24-21(27)25-20(26)17-9-7-14(22)11-18(17)23/h2-12H,1H3,(H2,24,25,26,27).
What are the key properties of 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide?
2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide has a molecular weight of 382.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide is sourced from PubChem (CID 134104722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).