N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide

C21H16F2N2O3 — CID 9165071

IUPACN-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H16F2N2O3/c22-15-8-11-19(18(23)12-15)25-20(26)13-24-21(27)14-6-9-17(10-7-14)28-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,27)(H,25,26)
InChIKeyLECJBFSJCNGHFD-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide

N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 9165071) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide
PubChem CID9165071
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC NameN-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H16F2N2O3/c22-15-8-11-19(18(23)12-15)25-20(26)13-24-21(27)14-6-9-17(10-7-14)28-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,27)(H,25,26)
InChIKeyLECJBFSJCNGHFD-UHFFFAOYSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
4-bromo-N-[2-oxo-2-(2-phenoxyanilino)ethyl]benzamide
CID 112771581
N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide
CID 9405216
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
2-(2-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
CID 113000855
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 16530168
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498559

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide (CID 9165071) is N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is LECJBFSJCNGHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c22-15-8-11-19(18(23)12-15)25-20(26)13-24-21(27)14-6-9-17(10-7-14)28-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide?
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 382.37 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 9165071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).