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

C21H14FN3O2 — CID 109049931

IUPAC4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H14FN3O2/c22-17-8-10-18(11-9-17)24-20(26)15-4-6-16(7-5-15)21(27)25-19-3-1-2-14(12-19)13-23/h1-12H,(H,24,26)(H,25,27)
InChIKeyPKJUDEDVAVWVAQ-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.20
Rot. Bonds4

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

4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049931) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049931
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H14FN3O2/c22-17-8-10-18(11-9-17)24-20(26)15-4-6-16(7-5-15)21(27)25-19-3-1-2-14(12-19)13-23/h1-12H,(H,24,26)(H,25,27)
InChIKeyPKJUDEDVAVWVAQ-UHFFFAOYSA-N
XLogP4.20
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55699331
4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
CID 47421832
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695
4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
CID 62678530
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (CID 109049931) is 4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is N#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is PKJUDEDVAVWVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-17-8-10-18(11-9-17)24-20(26)15-4-6-16(7-5-15)21(27)25-19-3-1-2-14(12-19)13-23/h1-12H,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 359.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).