1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide

C21H17FN2O2 — CID 109049357

IUPAC1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H17FN2O2/c1-14-3-2-4-19(13-14)24-21(26)16-7-5-15(6-8-16)20(25)23-18-11-9-17(22)10-12-18/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyGTZJSOREZSAFKG-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.64
Rot. Bonds4

About 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide

1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049357) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109049357
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H17FN2O2/c1-14-3-2-4-19(13-14)24-21(26)16-7-5-15(6-8-16)20(25)23-18-11-9-17(22)10-12-18/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyGTZJSOREZSAFKG-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide (CID 109049357) is 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide is Cc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is GTZJSOREZSAFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-14-3-2-4-19(13-14)24-21(26)16-7-5-15(6-8-16)20(25)23-18-11-9-17(22)10-12-18/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide?
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).