3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide

C23H21N3O — CID 87021499

IUPAC3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
SMILESCN(Cc1cccc(C#N)c1)Cc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21N3O/c1-26(16-19-8-5-7-18(13-19)15-24)17-20-9-6-10-21(14-20)23(27)25-22-11-3-2-4-12-22/h2-14H,16-17H2,1H3,(H,25,27)
InChIKeyISYSNCZJNSMVMU-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.44
Rot. Bonds6

About 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide

3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide (PubChem CID 87021499) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
PubChem CID87021499
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
SMILESCN(Cc1cccc(C#N)c1)Cc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21N3O/c1-26(16-19-8-5-7-18(13-19)15-24)17-20-9-6-10-21(14-20)23(27)25-22-11-3-2-4-12-22/h2-14H,16-17H2,1H3,(H,25,27)
InChIKeyISYSNCZJNSMVMU-UHFFFAOYSA-N
XLogP4.44
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
N-(3-cyanophenyl)-3-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzamide
CID 50949015
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 5253461
N-(4-chlorophenyl)-2-[(3-cyanophenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401819
N',N'-dibenzyl-3-cyanobenzohydrazide
CID 9293877
3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056164
2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
CID 63585387
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carboxylic acid
CID 62970029
3-[[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983081
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63585765
2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109175172

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide (CID 87021499) is 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide is CN(Cc1cccc(C#N)c1)Cc1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide?
The InChIKey is ISYSNCZJNSMVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-26(16-19-8-5-7-18(13-19)15-24)17-20-9-6-10-21(14-20)23(27)25-22-11-3-2-4-12-22/h2-14H,16-17H2,1H3,(H,25,27).
What are the key properties of 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide?
3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 87021499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).