2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide

C24H20ClN3O3 — CID 55877380

IUPAC2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-31-13-12-27-23(29)21-11-10-17(14-22(21)25)28-24(30)20-9-5-4-8-19(20)18-7-3-2-6-16(18)15-26/h2-11,14H,12-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyGIKTYKBDAPIOBQ-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.51
Rot. Bonds7

About 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide

2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 55877380) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID55877380
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-31-13-12-27-23(29)21-11-10-17(14-22(21)25)28-24(30)20-9-5-4-8-19(20)18-7-3-2-6-16(18)15-26/h2-11,14H,12-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyGIKTYKBDAPIOBQ-UHFFFAOYSA-N
XLogP4.51
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.51
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

2-chloro-4-[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 60532900
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide
CID 55878270
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126
N-(4-acetamidophenyl)-2-(2-cyanophenyl)benzamide
CID 27843811
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55878950
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265
N-[3-[3-chloro-4-(2-methoxyethylcarbamoyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55877259
2-chloro-4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 55876499
2-chloro-N-(2-methoxyethyl)-4-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide
CID 55878277
N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
CID 16560997
4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 120589553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide (CID 55877380) is 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is GIKTYKBDAPIOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-31-13-12-27-23(29)21-11-10-17(14-22(21)25)28-24(30)20-9-5-4-8-19(20)18-7-3-2-6-16(18)15-26/h2-11,14H,12-13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide?
2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 433.90 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 55877380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).