2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide

C23H19N3O3 — CID 8866379

IUPAC2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide
SMILESN#CCc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c24-15-14-17-10-12-19(13-11-17)25-22(27)16-29-21-9-5-4-8-20(21)23(28)26-18-6-2-1-3-7-18/h1-13H,14,16H2,(H,25,27)(H,26,28)
InChIKeyBVJMKAFERXVDPO-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.02
Rot. Bonds7

About 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide

2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 8866379) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID8866379
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide
SMILESN#CCc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c24-15-14-17-10-12-19(13-11-17)25-22(27)16-29-21-9-5-4-8-20(21)23(28)26-18-6-2-1-3-7-18/h1-13H,14,16H2,(H,25,27)(H,26,28)
InChIKeyBVJMKAFERXVDPO-UHFFFAOYSA-N
XLogP4.02
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7605088
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9259898
2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 26675454
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]acetic acid
CID 2811968
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 28593747
methyl 4-[[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]methyl]benzoate
CID 7919593

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide (CID 8866379) is 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide is N#CCc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is BVJMKAFERXVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c24-15-14-17-10-12-19(13-11-17)25-22(27)16-29-21-9-5-4-8-20(21)23(28)26-18-6-2-1-3-7-18/h1-13H,14,16H2,(H,25,27)(H,26,28).
What are the key properties of 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide?
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 385.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 8866379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).