N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide

C17H17N3O — CID 62314064

IUPACN-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C17H17N3O/c1-2-19-16-9-4-3-8-15(16)17(21)20-12-14-7-5-6-13(10-14)11-18/h3-10,19H,2,12H2,1H3,(H,20,21)
InChIKeyHONIIDQZVVVSFZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.92
Rot. Bonds5

About N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide

N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide (PubChem CID 62314064) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide
PubChem CID62314064
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C17H17N3O/c1-2-19-16-9-4-3-8-15(16)17(21)20-12-14-7-5-6-13(10-14)11-18/h3-10,19H,2,12H2,1H3,(H,20,21)
InChIKeyHONIIDQZVVVSFZ-UHFFFAOYSA-N
XLogP2.92
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121
N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623868
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 81256233
N-[(3-cyanophenyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81244932
2-cyano-N-[(3-cyanophenyl)methyl]-2-methylpropanamide
CID 61059964
methyl 3-[(3-cyanophenyl)methylamino]-2-methylbenzoate
CID 43714422
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide (CID 62314064) is N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)NCc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide?
The InChIKey is HONIIDQZVVVSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-19-16-9-4-3-8-15(16)17(21)20-12-14-7-5-6-13(10-14)11-18/h3-10,19H,2,12H2,1H3,(H,20,21).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide?
N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide is sourced from PubChem (CID 62314064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).