N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide

C23H18N2O4 — CID 1045731

IUPACN-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)c1
InChIInChI=1S/C23H18N2O4/c1-28-18-11-12-21(29-2)19(13-18)22(26)15-7-9-16(10-8-15)23(27)25-20-6-4-3-5-17(20)14-24/h3-13H,1-2H3,(H,25,27)
InChIKeyIDLWOIJVKPAGRK-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.06
Rot. Bonds6

About N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide

N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide (PubChem CID 1045731) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide
PubChem CID1045731
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC NameN-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)c1
InChIInChI=1S/C23H18N2O4/c1-28-18-11-12-21(29-2)19(13-18)22(26)15-7-9-16(10-8-15)23(27)25-20-6-4-3-5-17(20)14-24/h3-13H,1-2H3,(H,25,27)
InChIKeyIDLWOIJVKPAGRK-UHFFFAOYSA-N
XLogP4.06
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide
CID 4025593
3-amino-N-(2-cyanophenyl)-4-methoxybenzamide
CID 16788313
6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164359
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2-cyanophenyl)-4-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109221984
N-(2-cyanophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109164373
3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057632
N-(2-benzoyl-5-methoxyphenyl)-4-methylbenzamide
CID 139696912
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
[4-[(2-cyanophenyl)carbamoyl]phenyl] propanoate
CID 2996679
1-N,3-N-bis(3-cyano-2-ethylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155439

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide?
The IUPAC name of N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide (CID 1045731) is N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide is COc1ccc(OC)c(C(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)c1.
What is the InChIKey of N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide?
The InChIKey is IDLWOIJVKPAGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-18-11-12-21(29-2)19(13-18)22(26)15-7-9-16(10-8-15)23(27)25-20-6-4-3-5-17(20)14-24/h3-13H,1-2H3,(H,25,27).
What are the key properties of N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide?
N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide has a molecular weight of 386.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(2,5-dimethoxybenzoyl)benzamide is sourced from PubChem (CID 1045731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).