N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide

C23H21N3O2 — CID 102087418

IUPACN-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#N)cc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-26(2)19-9-5-17(6-10-19)21-14-16(15-24)4-13-22(21)25-23(27)18-7-11-20(28-3)12-8-18/h4-14H,1-3H3,(H,25,27)
InChIKeyRTVAOIYDFDLPBN-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.55
Rot. Bonds5

About N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide

N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide (PubChem CID 102087418) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide
PubChem CID102087418
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C#N)cc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-26(2)19-9-5-17(6-10-19)21-14-16(15-24)4-13-22(21)25-23(27)18-7-11-20(28-3)12-8-18/h4-14H,1-3H3,(H,25,27)
InChIKeyRTVAOIYDFDLPBN-UHFFFAOYSA-N
XLogP4.55
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[4-cyano-2-[2-(1,3-dioxan-2-yl)phenyl]phenyl]-4-methoxybenzamide
CID 102087414
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 70065817
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319436
N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide
CID 139012336
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
4-chloro-3-(4-methoxyphenyl)benzonitrile
CID 172914949
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880
4-(dimethylamino)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108729046
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide (CID 102087418) is N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C#N)cc2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide?
The InChIKey is RTVAOIYDFDLPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-26(2)19-9-5-17(6-10-19)21-14-16(15-24)4-13-22(21)25-23(27)18-7-11-20(28-3)12-8-18/h4-14H,1-3H3,(H,25,27).
What are the key properties of N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide?
N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-[4-(dimethylamino)phenyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 102087418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).