5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C25H22ClNO3 — CID 25155190

IUPAC5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCC2NC(=O)c1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H22ClNO3/c26-20-11-8-16(9-12-20)14-17-4-1-2-6-22(17)24(28)27-23-7-3-5-18-15-19(25(29)30)10-13-21(18)23/h1-2,4,6,8-13,15,23H,3,5,7,14H2,(H,27,28)(H,29,30)
InChIKeyMIQLGXGDKZQGGX-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.44
Rot. Bonds5

About 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 25155190) has the molecular formula C25H22ClNO3 and a molecular weight of 419.91 g/mol. Its IUPAC name is 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID25155190
Molecular FormulaC25H22ClNO3
Molecular Weight419.91 g/mol
Exact Mass419.13
IUPAC Name5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCCC2NC(=O)c1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H22ClNO3/c26-20-11-8-16(9-12-20)14-17-4-1-2-6-22(17)24(28)27-23-7-3-5-18-15-19(25(29)30)10-13-21(18)23/h1-2,4,6,8-13,15,23H,3,5,7,14H2,(H,27,28)(H,29,30)
InChIKeyMIQLGXGDKZQGGX-UHFFFAOYSA-N
XLogP5.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic 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 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 25155190) is 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CCCC2NC(=O)c1ccccc1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is MIQLGXGDKZQGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO3/c26-20-11-8-16(9-12-20)14-17-4-1-2-6-22(17)24(28)27-23-7-3-5-18-15-19(25(29)30)10-13-21(18)23/h1-2,4,6,8-13,15,23H,3,5,7,14H2,(H,27,28)(H,29,30).
What are the key properties of 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 419.91 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4-chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 25155190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).