2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid

C19H17ClN2O4 — CID 2801117

IUPAC2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid
SMILESC=CCN(C(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C19H17ClN2O4/c1-2-11-22(19(26)13-7-9-14(20)10-8-13)16-6-4-3-5-15(16)18(25)21-12-17(23)24/h2-10H,1,11-12H2,(H,21,25)(H,23,24)
InChIKeyDBEQDRPINAPLHA-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.99
Rot. Bonds7

About 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid

2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid (PubChem CID 2801117) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid
PubChem CID2801117
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid
SMILESC=CCN(C(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C19H17ClN2O4/c1-2-11-22(19(26)13-7-9-14(20)10-8-13)16-6-4-3-5-15(16)18(25)21-12-17(23)24/h2-10H,1,11-12H2,(H,21,25)(H,23,24)
InChIKeyDBEQDRPINAPLHA-UHFFFAOYSA-N
XLogP2.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid (CID 2801117) is 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid is C=CCN(C(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid?
The InChIKey is DBEQDRPINAPLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-2-11-22(19(26)13-7-9-14(20)10-8-13)16-6-4-3-5-15(16)18(25)21-12-17(23)24/h2-10H,1,11-12H2,(H,21,25)(H,23,24).
What are the key properties of 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid?
2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid has a molecular weight of 372.81 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorobenzoyl)-prop-2-enylamino]benzoyl]amino]acetic acid is sourced from PubChem (CID 2801117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).