1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide

C23H20F2N2O3 — CID 71761549

IUPAC1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H20F2N2O3/c1-30-21-11-6-17(22(28)26-13-15-2-7-18(24)8-3-15)12-20(21)23(29)27-14-16-4-9-19(25)10-5-16/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyQUAHLULCBUJQBK-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.83
Rot. Bonds7

About 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide

1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 71761549) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
PubChem CID71761549
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H20F2N2O3/c1-30-21-11-6-17(22(28)26-13-15-2-7-18(24)8-3-15)12-20(21)23(29)27-14-16-4-9-19(25)10-5-16/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyQUAHLULCBUJQBK-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-hydroxypropanoic acid
CID 20777373
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
CID 28560777
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 4798518
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide (CID 71761549) is 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)NCc2ccc(F)cc2)cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is QUAHLULCBUJQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-30-21-11-6-17(22(28)26-13-15-2-7-18(24)8-3-15)12-20(21)23(29)27-14-16-4-9-19(25)10-5-16/h2-12H,13-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 410.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 71761549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).