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

C23H21FN2O2 — CID 109047991

IUPAC1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O2/c1-16-4-2-3-5-21(16)26-23(28)19-10-8-18(9-11-19)22(27)25-15-14-17-6-12-20(24)13-7-17/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBCMXNBDTBALOCG-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.36
Rot. Bonds6

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

1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109047991) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109047991
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O2/c1-16-4-2-3-5-21(16)26-23(28)19-10-8-18(9-11-19)22(27)25-15-14-17-6-12-20(24)13-7-17/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBCMXNBDTBALOCG-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)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

3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109055685
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[2-(4-fluorophenyl)ethyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549728
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
6-N-(2,3-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098597
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261
N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9039149

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide (CID 109047991) is 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide is Cc1ccccc1NC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is BCMXNBDTBALOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-16-4-2-3-5-21(16)26-23(28)19-10-8-18(9-11-19)22(27)25-15-14-17-6-12-20(24)13-7-17/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide?
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).