2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

C21H16F2N2O3 — CID 4796910

IUPAC2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C21H16F2N2O3/c1-28-17-9-7-16(8-10-17)24-20(26)13-2-5-15(6-3-13)25-21(27)18-11-4-14(22)12-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyNKZIIPWHXMIXDF-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.48
Rot. Bonds5

About 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 4796910) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID4796910
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C21H16F2N2O3/c1-28-17-9-7-16(8-10-17)24-20(26)13-2-5-15(6-3-13)25-21(27)18-11-4-14(22)12-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyNKZIIPWHXMIXDF-UHFFFAOYSA-N
XLogP4.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55764324
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
CID 1110822
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55996525

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (CID 4796910) is 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(F)cc3F)cc2)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is NKZIIPWHXMIXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c1-28-17-9-7-16(8-10-17)24-20(26)13-2-5-15(6-3-13)25-21(27)18-11-4-14(22)12-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 382.37 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 4796910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).