2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide

C24H21N3O3 — CID 55878950

IUPAC2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccccc2-c2ccccc2C#N)cc1
InChIInChI=1S/C24H21N3O3/c1-30-19-12-10-17(11-13-19)23(28)26-14-15-27-24(29)22-9-5-4-8-21(22)20-7-3-2-6-18(20)16-25/h2-13H,14-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyMYMPOOQCRCZREG-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.39
Rot. Bonds7

About 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide

2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide (PubChem CID 55878950) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
PubChem CID55878950
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccccc2-c2ccccc2C#N)cc1
InChIInChI=1S/C24H21N3O3/c1-30-19-12-10-17(11-13-19)23(28)26-14-15-27-24(29)22-9-5-4-8-21(22)20-7-3-2-6-18(20)16-25/h2-13H,14-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyMYMPOOQCRCZREG-UHFFFAOYSA-N
XLogP3.39
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-methoxybenzamide
CID 8757035
2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17438662
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-methoxybenzamide
CID 108537249
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8701813
[4-(2-cyanophenyl)phenyl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 31117812
N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-(N-methylanilino)benzamide
CID 55880097
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 112833774
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
2-(2-cyanophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 29278478
2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877380
N-[2-(2-cyano-3-fluoroanilino)ethyl]-4-methoxybenzamide
CID 47037739

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide (CID 55878950) is 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)c2ccccc2-c2ccccc2C#N)cc1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide?
The InChIKey is MYMPOOQCRCZREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-30-19-12-10-17(11-13-19)23(28)26-14-15-27-24(29)22-9-5-4-8-21(22)20-7-3-2-6-18(20)16-25/h2-13H,14-15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide?
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 55878950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).