3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide

C16H15N3O2 — CID 43735345

IUPAC3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3O2/c1-21-15-7-6-13(16(18)20)8-14(15)19-10-12-4-2-11(9-17)3-5-12/h2-8,19H,10H2,1H3,(H2,18,20)
InChIKeyAYEBKSYEDOAWGX-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.28
Rot. Bonds5

About 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide

3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide (PubChem CID 43735345) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
PubChem CID43735345
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3O2/c1-21-15-7-6-13(16(18)20)8-14(15)19-10-12-4-2-11(9-17)3-5-12/h2-8,19H,10H2,1H3,(H2,18,20)
InChIKeyAYEBKSYEDOAWGX-UHFFFAOYSA-N
XLogP2.28
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735340
3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide
CID 56789679
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025
4-[(5-bromo-2-methoxyanilino)methyl]benzamide
CID 61059474
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46587460
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329
3-(butanoylamino)-4-methoxybenzamide
CID 47243869

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide?
The IUPAC name of 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide (CID 43735345) is 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide?
The canonical SMILES for 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NCc1ccc(C#N)cc1.
What is the InChIKey of 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide?
The InChIKey is AYEBKSYEDOAWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-7-6-13(16(18)20)8-14(15)19-10-12-4-2-11(9-17)3-5-12/h2-8,19H,10H2,1H3,(H2,18,20).
What are the key properties of 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide?
3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide has a molecular weight of 281.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide is sourced from PubChem (CID 43735345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).