4-[(3-cyanophenyl)methylamino]-N-methylbenzamide

C16H15N3O — CID 43231738

IUPAC4-[(3-cyanophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H15N3O/c1-18-16(20)14-5-7-15(8-6-14)19-11-13-4-2-3-12(9-13)10-17/h2-9,19H,11H2,1H3,(H,18,20)
InChIKeyQPVKSUIGCKYGHT-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds4

About 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide

4-[(3-cyanophenyl)methylamino]-N-methylbenzamide (PubChem CID 43231738) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3-cyanophenyl)methylamino]-N-methylbenzamide
PubChem CID43231738
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[(3-cyanophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H15N3O/c1-18-16(20)14-5-7-15(8-6-14)19-11-13-4-2-3-12(9-13)10-17/h2-9,19H,11H2,1H3,(H,18,20)
InChIKeyQPVKSUIGCKYGHT-UHFFFAOYSA-N
XLogP2.53
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726891
propyl 4-[(3-cyanophenyl)methylamino]benzoate
CID 78822819
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-[(4-iodoanilino)methyl]benzonitrile
CID 28878768
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069
3-[(2-bromo-4-cyanoanilino)methyl]-N-methylbenzamide
CID 133409033
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
3-[(4-ethylsulfonylanilino)methyl]-N-methylbenzamide
CID 133312538
N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide
CID 71978101
2-[(3-cyanophenyl)methylamino]-N-methylacetamide
CID 43214956
N-[(3-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847791

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide (CID 43231738) is 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCc2cccc(C#N)c2)cc1.
What is the InChIKey of 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide?
The InChIKey is QPVKSUIGCKYGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-18-16(20)14-5-7-15(8-6-14)19-11-13-4-2-3-12(9-13)10-17/h2-9,19H,11H2,1H3,(H,18,20).
What are the key properties of 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide?
4-[(3-cyanophenyl)methylamino]-N-methylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanophenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 43231738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).