4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide

C17H17N3O — CID 43601262

IUPAC4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1cccc(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H17N3O/c1-2-19-12-14-4-3-5-16(10-14)20-17(21)15-8-6-13(11-18)7-9-15/h3-10,19H,2,12H2,1H3,(H,20,21)
InChIKeyCPHIXLMVTNEGEE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.92
Rot. Bonds5

About 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide

4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide (PubChem CID 43601262) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
PubChem CID43601262
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1cccc(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H17N3O/c1-2-19-12-14-4-3-5-16(10-14)20-17(21)15-8-6-13(11-18)7-9-15/h3-10,19H,2,12H2,1H3,(H,20,21)
InChIKeyCPHIXLMVTNEGEE-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

N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119438206
4-cyano-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide;formic acid
CID 154912066
4-(difluoromethylsulfonylmethyl)-N-[3-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119438655
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide?
The IUPAC name of 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide (CID 43601262) is 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide is CCNCc1cccc(NC(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide?
The InChIKey is CPHIXLMVTNEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-19-12-14-4-3-5-16(10-14)20-17(21)15-8-6-13(11-18)7-9-15/h3-10,19H,2,12H2,1H3,(H,20,21).
What are the key properties of 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide?
4-cyano-N-[3-(ethylaminomethyl)phenyl]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 4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43601262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).