1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide

C22H19FN2O2 — CID 109049753

IUPAC1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C22H19FN2O2/c1-2-15-7-13-18(14-8-15)24-21(26)16-9-11-17(12-10-16)22(27)25-20-6-4-3-5-19(20)23/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyNTMZYZRWYWXYJE-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.89
Rot. Bonds5

About 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide

1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049753) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049753
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C22H19FN2O2/c1-2-15-7-13-18(14-8-15)24-21(26)16-9-11-17(12-10-16)22(27)25-20-6-4-3-5-19(20)23/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyNTMZYZRWYWXYJE-UHFFFAOYSA-N
XLogP4.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
2-[(4-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772170
4-N-(2-fluorophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049881
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2899761
N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide
CID 154803721
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-ethyl-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64780111
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
4-amino-N-(4-ethylphenyl)-3-fluorobenzamide
CID 62678871

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide (CID 109049753) is 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide is CCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is NTMZYZRWYWXYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-2-15-7-13-18(14-8-15)24-21(26)16-9-11-17(12-10-16)22(27)25-20-6-4-3-5-19(20)23/h3-14H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 362.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).