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

C21H13ClFN3O2 — CID 109057592

IUPAC3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1
InChIInChI=1S/C21H13ClFN3O2/c22-18-11-17(7-8-19(18)23)26-21(28)15-5-2-4-14(10-15)20(27)25-16-6-1-3-13(9-16)12-24/h1-11H,(H,25,27)(H,26,28)
InChIKeyLZAFDJKGFAXYFQ-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.86
Rot. Bonds4

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

3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide (PubChem CID 109057592) has the molecular formula C21H13ClFN3O2 and a molecular weight of 393.81 g/mol. Its IUPAC name is 3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
PubChem CID109057592
Molecular FormulaC21H13ClFN3O2
Molecular Weight393.81 g/mol
Exact Mass393.07
IUPAC Name3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1
InChIInChI=1S/C21H13ClFN3O2/c22-18-11-17(7-8-19(18)23)26-21(28)15-5-2-4-14(10-15)20(27)25-16-6-1-3-13(9-16)12-24/h1-11H,(H,25,27)(H,26,28)
InChIKeyLZAFDJKGFAXYFQ-UHFFFAOYSA-N
XLogP4.86
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide
CID 141364165
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
3-N-(3-cyanophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109057385
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317340
1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337349
4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
CID 47421832

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide (CID 109057592) is 3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide is N#Cc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1.
What is the InChIKey of 3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide?
The InChIKey is LZAFDJKGFAXYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O2/c22-18-11-17(7-8-19(18)23)26-21(28)15-5-2-4-14(10-15)20(27)25-16-6-1-3-13(9-16)12-24/h1-11H,(H,25,27)(H,26,28).
What are the key properties of 3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide?
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide has a molecular weight of 393.81 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).