3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide

C24H21N3O2 — CID 55632235

IUPAC3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(C#N)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-16-8-11-21(14-22(16)27-23(28)20-6-4-3-5-7-20)24(29)26-17(2)19-12-9-18(15-25)10-13-19/h3-14,17H,1-2H3,(H,26,29)(H,27,28)
InChIKeyBWLZBNLXBKBYLX-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.61
Rot. Bonds5

About 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide

3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide (PubChem CID 55632235) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide
PubChem CID55632235
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(C#N)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-16-8-11-21(14-22(16)27-23(28)20-6-4-3-5-7-20)24(29)26-17(2)19-12-9-18(15-25)10-13-19/h3-14,17H,1-2H3,(H,26,29)(H,27,28)
InChIKeyBWLZBNLXBKBYLX-UHFFFAOYSA-N
XLogP4.61
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
N-[1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 86785759
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 99853114
3-benzamido-N,4-dimethylbenzamide
CID 17226324
(2S)-2-[(3-benzamido-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 119360446
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7758774
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide (CID 55632235) is 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2ccc(C#N)cc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide?
The InChIKey is BWLZBNLXBKBYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-8-11-21(14-22(16)27-23(28)20-6-4-3-5-7-20)24(29)26-17(2)19-12-9-18(15-25)10-13-19/h3-14,17H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide?
3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[1-(4-cyanophenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 55632235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).