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

C23H21FN2O3 — CID 109047971

IUPAC1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)NCCc3ccccc3F)cc2)c1
InChIInChI=1S/C23H21FN2O3/c1-29-20-7-4-6-19(15-20)26-23(28)18-11-9-17(10-12-18)22(27)25-14-13-16-5-2-3-8-21(16)24/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyOUSNGDLKXCMBRG-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.06
Rot. Bonds7

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

1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109047971) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109047971
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C(=O)NCCc3ccccc3F)cc2)c1
InChIInChI=1S/C23H21FN2O3/c1-29-20-7-4-6-19(15-20)26-23(28)18-11-9-17(10-12-18)22(27)25-14-13-16-5-2-3-8-21(16)24/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyOUSNGDLKXCMBRG-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

Analyze 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-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-[2-(2-fluorophenyl)ethyl]-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108977400
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-4-methoxybenzamide
CID 19318775
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411072
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide (CID 109047971) is 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide is COc1cccc(NC(=O)c2ccc(C(=O)NCCc3ccccc3F)cc2)c1.
What is the InChIKey of 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is OUSNGDLKXCMBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-29-20-7-4-6-19(15-20)26-23(28)18-11-9-17(10-12-18)22(27)25-14-13-16-5-2-3-8-21(16)24/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide?
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-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 1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).