1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide

C22H17N3O3 — CID 109050095

IUPAC1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H17N3O3/c1-28-20-12-10-19(11-13-20)25-22(27)17-6-4-16(5-7-17)21(26)24-18-8-2-15(14-23)3-9-18/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyBVPCVTLJRBKJDP-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.07
Rot. Bonds5

About 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide

1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109050095) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109050095
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H17N3O3/c1-28-20-12-10-19(11-13-20)25-22(27)17-6-4-16(5-7-17)21(26)24-18-8-2-15(14-23)3-9-18/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyBVPCVTLJRBKJDP-UHFFFAOYSA-N
XLogP4.07
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide
CID 158179575
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
3-amino-N-(4-cyanophenyl)-5-methoxybenzamide
CID 78985323
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide (CID 109050095) is 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is BVPCVTLJRBKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-28-20-12-10-19(11-13-20)25-22(27)17-6-4-16(5-7-17)21(26)24-18-8-2-15(14-23)3-9-18/h2-13H,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide?
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 371.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109050095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).