1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide

C35H28F2N2O3 — CID 141157198

IUPAC1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cc3ccccc3)c2F)cc1C(=O)Nc1cccc(Cc2ccccc2)c1F
InChIInChI=1S/C35H28F2N2O3/c1-42-31-19-18-27(34(40)38-29-16-8-14-25(32(29)36)20-23-10-4-2-5-11-23)22-28(31)35(41)39-30-17-9-15-26(33(30)37)21-24-12-6-3-7-13-24/h2-19,22H,20-21H2,1H3,(H,38,40)(H,39,41)
InChIKeyLSVXTXGAPASXHM-UHFFFAOYSA-N
MW562.62 g/mol
LogP7.66
Rot. Bonds9

About 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide

1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 141157198) has the molecular formula C35H28F2N2O3 and a molecular weight of 562.62 g/mol. Its IUPAC name is 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
PubChem CID141157198
Molecular FormulaC35H28F2N2O3
Molecular Weight562.62 g/mol
Exact Mass562.21
IUPAC Name1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cc3ccccc3)c2F)cc1C(=O)Nc1cccc(Cc2ccccc2)c1F
InChIInChI=1S/C35H28F2N2O3/c1-42-31-19-18-27(34(40)38-29-16-8-14-25(32(29)36)20-23-10-4-2-5-11-23)22-28(31)35(41)39-30-17-9-15-26(33(30)37)21-24-12-6-3-7-13-24/h2-19,22H,20-21H2,1H3,(H,38,40)(H,39,41)
InChIKeyLSVXTXGAPASXHM-UHFFFAOYSA-N
XLogP7.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.62
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157179
1-N,3-N-bis(2-fluoro-3-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157410
N-(2-benzylphenyl)-3-methoxy-4-propoxybenzamide
CID 2461218
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
1-N,3-N-bis(3-fluoro-2-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157429
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 26095026
N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55331140
N-(2-benzylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045822
1-N,3-N-bis(3-cyano-2-ethylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155439
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide (CID 141157198) is 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)Nc2cccc(Cc3ccccc3)c2F)cc1C(=O)Nc1cccc(Cc2ccccc2)c1F.
What is the InChIKey of 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is LSVXTXGAPASXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F2N2O3/c1-42-31-19-18-27(34(40)38-29-16-8-14-25(32(29)36)20-23-10-4-2-5-11-23)22-28(31)35(41)39-30-17-9-15-26(33(30)37)21-24-12-6-3-7-13-24/h2-19,22H,20-21H2,1H3,(H,38,40)(H,39,41).
What are the key properties of 1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 562.62 g/mol, XLogP of 7.66, 9 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(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 141157198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).