2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid

C25H19N5O6 — CID 118972569

IUPAC2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid
SMILESN#Cc1cc(CC(=O)O)c(NC(=O)NC(=O)c2ccccc2)cc1NC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C25H19N5O6/c26-14-18-11-17(12-21(31)32)19(27-24(35)29-22(33)15-7-3-1-4-8-15)13-20(18)28-25(36)30-23(34)16-9-5-2-6-10-16/h1-11,13H,12H2,(H,31,32)(H2,27,29,33,35)(H2,28,30,34,36)
InChIKeyWADYTZBYSAIPDK-UHFFFAOYSA-N
MW485.46 g/mol
LogP3.11
Rot. Bonds6

About 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid

2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid (PubChem CID 118972569) has the molecular formula C25H19N5O6 and a molecular weight of 485.46 g/mol. Its IUPAC name is 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid.

Molecular Properties

Compound Name2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid
PubChem CID118972569
Molecular FormulaC25H19N5O6
Molecular Weight485.46 g/mol
Exact Mass485.13
IUPAC Name2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid
SMILESN#Cc1cc(CC(=O)O)c(NC(=O)NC(=O)c2ccccc2)cc1NC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C25H19N5O6/c26-14-18-11-17(12-21(31)32)19(27-24(35)29-22(33)15-7-3-1-4-8-15)13-20(18)28-25(36)30-23(34)16-9-5-2-6-10-16/h1-11,13H,12H2,(H,31,32)(H2,27,29,33,35)(H2,28,30,34,36)
InChIKeyWADYTZBYSAIPDK-UHFFFAOYSA-N
XLogP3.11
TPSA177.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 53.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-cyano-1,3-benzodioxol-5-yl)benzamide
CID 175888730
N-[5-chloro-2-cyano-4-[2-(3-hydroxypropylamino)ethyl]phenyl]benzamide
CID 169053126
2-[2-[(4-chloro-2-cyanoanilino)methyl]phenyl]acetic acid
CID 81312382
2-[2-[(2-cyanoanilino)methyl]phenyl]acetic acid
CID 81317628
N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
CID 2985483
N-carbonocyanidoylbenzamide
CID 121227366
N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide
CID 15504397
2-[2-[(3-bromo-4-cyanoanilino)methyl]phenyl]acetic acid
CID 107275599
N-(ethylcarbamoyl)benzamide
CID 23273840
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
CID 778152
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
2-(2-benzoyl-4-cyanophenyl)acetic acid
CID 91883970

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid?
The IUPAC name of 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid (CID 118972569) is 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid.
What is the SMILES notation for 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid?
The canonical SMILES for 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid is N#Cc1cc(CC(=O)O)c(NC(=O)NC(=O)c2ccccc2)cc1NC(=O)NC(=O)c1ccccc1.
What is the InChIKey of 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid?
The InChIKey is WADYTZBYSAIPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O6/c26-14-18-11-17(12-21(31)32)19(27-24(35)29-22(33)15-7-3-1-4-8-15)13-20(18)28-25(36)30-23(34)16-9-5-2-6-10-16/h1-11,13H,12H2,(H,31,32)(H2,27,29,33,35)(H2,28,30,34,36).
What are the key properties of 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid?
2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid has a molecular weight of 485.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid is sourced from PubChem (CID 118972569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).