3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide

C26H26FN3O5 — CID 55946843

IUPAC3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1OCC
InChIInChI=1S/C26H26FN3O5/c1-3-34-22-12-11-18(14-23(22)35-4-2)25(32)28-16-24(31)29-20-9-5-7-17(13-20)26(33)30-21-10-6-8-19(27)15-21/h5-15H,3-4,16H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyQWVWQCHEPACBIZ-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.24
Rot. Bonds10

About 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide (PubChem CID 55946843) has the molecular formula C26H26FN3O5 and a molecular weight of 479.51 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
PubChem CID55946843
Molecular FormulaC26H26FN3O5
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1OCC
InChIInChI=1S/C26H26FN3O5/c1-3-34-22-12-11-18(14-23(22)35-4-2)25(32)28-16-24(31)29-20-9-5-7-17(13-20)26(33)30-21-10-6-8-19(27)15-21/h5-15H,3-4,16H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyQWVWQCHEPACBIZ-UHFFFAOYSA-N
XLogP4.24
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55847529
3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635770
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 55834639
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide (CID 55946843) is 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide?
The InChIKey is QWVWQCHEPACBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O5/c1-3-34-22-12-11-18(14-23(22)35-4-2)25(32)28-16-24(31)29-20-9-5-7-17(13-20)26(33)30-21-10-6-8-19(27)15-21/h5-15H,3-4,16H2,1-2H3,(H,28,32)(H,29,31)(H,30,33).
What are the key properties of 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide has a molecular weight of 479.51 g/mol, XLogP of 4.24, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55946843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).