1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide

C20H23FN2O2 — CID 109049096

IUPAC1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O2/c1-3-12-23(13-4-2)20(25)16-10-8-15(9-11-16)19(24)22-18-7-5-6-17(21)14-18/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyVVMBLMPJXJPUEZ-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.34
Rot. Bonds7

About 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide

1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide (PubChem CID 109049096) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
PubChem CID109049096
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O2/c1-3-12-23(13-4-2)20(25)16-10-8-15(9-11-16)19(24)22-18-7-5-6-17(21)14-18/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyVVMBLMPJXJPUEZ-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049073
3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
CID 26162428
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043611
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
3-benzamido-N,N-dibutylbenzamide
CID 4270775
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide (CID 109049096) is 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide is CCCN(CCC)C(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
The InChIKey is VVMBLMPJXJPUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-3-12-23(13-4-2)20(25)16-10-8-15(9-11-16)19(24)22-18-7-5-6-17(21)14-18/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24).
What are the key properties of 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide?
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide has a molecular weight of 342.41 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109049096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).