(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate

C23H18N2O3 — CID 2401956

IUPAC(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESN#Cc1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H18N2O3/c24-14-17-6-8-18(9-7-17)16-28-22(26)15-25-23(27)21-12-10-20(11-13-21)19-4-2-1-3-5-19/h1-13H,15-16H2,(H,25,27)
InChIKeyKYXCZQDMOJDJFN-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.70
Rot. Bonds6

About (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate

(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 2401956) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID2401956
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESN#Cc1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H18N2O3/c24-14-17-6-8-18(9-7-17)16-28-22(26)15-25-23(27)21-12-10-20(11-13-21)19-4-2-1-3-5-19/h1-13H,15-16H2,(H,25,27)
InChIKeyKYXCZQDMOJDJFN-UHFFFAOYSA-N
XLogP3.70
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyanophenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
CID 31177127
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 32970914
[4-(2-cyanophenyl)phenyl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 31117812
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
benzyl 2-benzamidoacetate;ethane
CID 142836612
(4-cyanophenyl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827849
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921393
(4-cyanophenyl) 2-benzamidoacetate
CID 23275633
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
CID 7854658
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate (CID 2401956) is (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate is N#Cc1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is KYXCZQDMOJDJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c24-14-17-6-8-18(9-7-17)16-28-22(26)15-25-23(27)21-12-10-20(11-13-21)19-4-2-1-3-5-19/h1-13H,15-16H2,(H,25,27).
What are the key properties of (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 370.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 2401956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).