1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide

C21H13F2N3O2 — CID 109057785

IUPAC1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)c1
InChIInChI=1S/C21H13F2N3O2/c22-16-7-8-19(18(23)11-16)26-21(28)15-5-2-4-14(10-15)20(27)25-17-6-1-3-13(9-17)12-24/h1-11H,(H,25,27)(H,26,28)
InChIKeyMSHWMQRMFUUUAA-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.34
Rot. Bonds4

About 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide

1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109057785) has the molecular formula C21H13F2N3O2 and a molecular weight of 377.35 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109057785
Molecular FormulaC21H13F2N3O2
Molecular Weight377.35 g/mol
Exact Mass377.10
IUPAC Name1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
SMILESN#Cc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)c1
InChIInChI=1S/C21H13F2N3O2/c22-16-7-8-19(18(23)11-16)26-21(28)15-5-2-4-14(10-15)20(27)25-17-6-1-3-13(9-17)12-24/h1-11H,(H,25,27)(H,26,28)
InChIKeyMSHWMQRMFUUUAA-UHFFFAOYSA-N
XLogP4.34
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
CID 47421832
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
CID 62678530
3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55699331
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057767
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide (CID 109057785) is 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide is N#Cc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is MSHWMQRMFUUUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O2/c22-16-7-8-19(18(23)11-16)26-21(28)15-5-2-4-14(10-15)20(27)25-17-6-1-3-13(9-17)12-24/h1-11H,(H,25,27)(H,26,28).
What are the key properties of 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 377.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).