3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide

C23H21FN2O3 — CID 109055517

IUPAC3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H21FN2O3/c1-29-21-11-5-16(6-12-21)13-14-25-22(27)17-3-2-4-18(15-17)23(28)26-20-9-7-19(24)8-10-20/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyMDBSRKMUTKASCC-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.06
Rot. Bonds7

About 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide

3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109055517) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109055517
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H21FN2O3/c1-29-21-11-5-16(6-12-21)13-14-25-22(27)17-3-2-4-18(15-17)23(28)26-20-9-7-19(24)8-10-20/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyMDBSRKMUTKASCC-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16552543
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide (CID 109055517) is 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is COc1ccc(CCNC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is MDBSRKMUTKASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-29-21-11-5-16(6-12-21)13-14-25-22(27)17-3-2-4-18(15-17)23(28)26-20-9-7-19(24)8-10-20/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide?
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).