1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

C17H15FN2O2 — CID 109043370

IUPAC1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C17H15FN2O2/c18-13-5-7-14(8-6-13)19-16(21)11-1-3-12(4-2-11)17(22)20-15-9-10-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22)
InChIKeyGFXIGATVCJNPCQ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.97
Rot. Bonds4

About 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109043370) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109043370
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C17H15FN2O2/c18-13-5-7-14(8-6-13)19-16(21)11-1-3-12(4-2-11)17(22)20-15-9-10-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22)
InChIKeyGFXIGATVCJNPCQ-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374815
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
3-amino-N-[4-(cyclopropylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64523459
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
4-fluoro-N-(1-oxothian-4-yl)benzamide
CID 115886679
N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
CID 52559092

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (CID 109043370) is 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is O=C(Nc1ccc(F)cc1)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is GFXIGATVCJNPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-13-5-7-14(8-6-13)19-16(21)11-1-3-12(4-2-11)17(22)20-15-9-10-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).