1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide

C23H21FN2O3 — CID 109047212

IUPAC1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O3/c1-15-7-12-21(29-2)20(13-15)26-23(28)17-10-8-16(9-11-17)22(27)25-14-18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyTWQHTDYROYMVHB-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.33
Rot. Bonds6

About 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide

1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109047212) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109047212
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O3/c1-15-7-12-21(29-2)20(13-15)26-23(28)17-10-8-16(9-11-17)22(27)25-14-18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyTWQHTDYROYMVHB-UHFFFAOYSA-N
XLogP4.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109328594
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide (CID 109047212) is 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide is COc1ccc(C)cc1NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is TWQHTDYROYMVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-15-7-12-21(29-2)20(13-15)26-23(28)17-10-8-16(9-11-17)22(27)25-14-18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide?
1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).