N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide

C25H19ClF3N5O3 — CID 155559402

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3cc(NC(=O)CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc23)cc1
InChIInChI=1S/C25H19ClF3N5O3/c1-30-24(37)14-4-2-13(3-5-14)23-17-8-6-16(11-20(17)33-34-23)32-22(36)12-21(35)31-15-7-9-19(26)18(10-15)25(27,28)29/h2-11H,12H2,1H3,(H,30,37)(H,31,35)(H,32,36)(H,33,34)
InChIKeyIADQTGXHUOCQCX-UHFFFAOYSA-N
MW529.91 g/mol
LogP5.23
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide (PubChem CID 155559402) has the molecular formula C25H19ClF3N5O3 and a molecular weight of 529.91 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide
PubChem CID155559402
Molecular FormulaC25H19ClF3N5O3
Molecular Weight529.91 g/mol
Exact Mass529.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3cc(NC(=O)CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc23)cc1
InChIInChI=1S/C25H19ClF3N5O3/c1-30-24(37)14-4-2-13(3-5-14)23-17-8-6-16(11-20(17)33-34-23)32-22(36)12-21(35)31-15-7-9-19(26)18(10-15)25(27,28)29/h2-11H,12H2,1H3,(H,30,37)(H,31,35)(H,32,36)(H,33,34)
InChIKeyIADQTGXHUOCQCX-UHFFFAOYSA-N
XLogP5.23
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.91
LogP ≤ 55.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide 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 N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide (CID 155559402) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide is CNC(=O)c1ccc(-c2n[nH]c3cc(NC(=O)CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc23)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide?
The InChIKey is IADQTGXHUOCQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N5O3/c1-30-24(37)14-4-2-13(3-5-14)23-17-8-6-16(11-20(17)33-34-23)32-22(36)12-21(35)31-15-7-9-19(26)18(10-15)25(27,28)29/h2-11H,12H2,1H3,(H,30,37)(H,31,35)(H,32,36)(H,33,34).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide has a molecular weight of 529.91 g/mol, XLogP of 5.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide is sourced from PubChem (CID 155559402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).