4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid

C19H15ClN4O2 — CID 74221229

IUPAC4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1
InChIInChI=1S/C19H15ClN4O2/c20-14-3-1-2-13(10-14)17-22-16(11-4-5-11)23-19(24-17)21-15-8-6-12(7-9-15)18(25)26/h1-3,6-11H,4-5H2,(H,25,26)(H,21,22,23,24)
InChIKeyHQJJTHYXAGWJCX-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.51
Rot. Bonds5

About 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid

4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid (PubChem CID 74221229) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid
PubChem CID74221229
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1
InChIInChI=1S/C19H15ClN4O2/c20-14-3-1-2-13(10-14)17-22-16(11-4-5-11)23-19(24-17)21-15-8-6-12(7-9-15)18(25)26/h1-3,6-11H,4-5H2,(H,25,26)(H,21,22,23,24)
InChIKeyHQJJTHYXAGWJCX-UHFFFAOYSA-N
XLogP4.51
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid with MolForge

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Related Compounds

4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]benzoic acid
CID 71563760
4-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]benzoic acid
CID 53214548
4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 25257182
ethyl 4-[[4-[4-[4,6-bis(4-ethoxycarbonylanilino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(4-ethoxycarbonylanilino)-1,3,5-triazin-2-yl]amino]benzoate
CID 57313597
4-(2,6-dichloroanilino)benzoic acid
CID 65499202
4-[[3-(3-chlorophenyl)cyclobutyl]amino]benzoic acid
CID 43635176
4-[[4-(4-carboxyanilino)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]amino]benzoic acid
CID 90753530
[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 59186189
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
4-(3-chlorophenyl)-N-(1-methylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250695
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 42760859
4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 58169209

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid (CID 74221229) is 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1.
What is the InChIKey of 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid?
The InChIKey is HQJJTHYXAGWJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-14-3-1-2-13(10-14)17-22-16(11-4-5-11)23-19(24-17)21-15-8-6-12(7-9-15)18(25)26/h1-3,6-11H,4-5H2,(H,25,26)(H,21,22,23,24).
What are the key properties of 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid?
4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid has a molecular weight of 366.81 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino]benzoic acid is sourced from PubChem (CID 74221229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).