N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide

C25H21ClN6O2 — CID 60607913

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCc3ccccc32)c1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C25H21ClN6O2/c26-19-8-9-23(32-16-27-15-29-32)21(13-19)30-24(33)14-28-20-6-3-5-18(12-20)25(34)31-11-10-17-4-1-2-7-22(17)31/h1-9,12-13,15-16,28H,10-11,14H2,(H,30,33)
InChIKeyOJYKQWBGFDWYOA-UHFFFAOYSA-N
MW472.94 g/mol
LogP4.17
Rot. Bonds6

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide (PubChem CID 60607913) has the molecular formula C25H21ClN6O2 and a molecular weight of 472.94 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide
PubChem CID60607913
Molecular FormulaC25H21ClN6O2
Molecular Weight472.94 g/mol
Exact Mass472.14
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCc3ccccc32)c1)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C25H21ClN6O2/c26-19-8-9-23(32-16-27-15-29-32)21(13-19)30-24(33)14-28-20-6-3-5-18(12-20)25(34)31-11-10-17-4-1-2-7-22(17)31/h1-9,12-13,15-16,28H,10-11,14H2,(H,30,33)
InChIKeyOJYKQWBGFDWYOA-UHFFFAOYSA-N
XLogP4.17
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide 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-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897148
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(naphthalen-1-ylamino)acetamide
CID 9324048
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-dichloroanilino)acetamide
CID 37474179
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964673
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-difluoroanilino)acetamide
CID 42069734
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 18084476
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
[5-(2,5-dichloroanilino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109242444
4-[2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetyl]piperazin-2-one
CID 60607708
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 55304578
2-[[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40968432
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537022

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide (CID 60607913) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide is O=C(CNc1cccc(C(=O)N2CCc3ccccc32)c1)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide?
The InChIKey is OJYKQWBGFDWYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O2/c26-19-8-9-23(32-16-27-15-29-32)21(13-19)30-24(33)14-28-20-6-3-5-18(12-20)25(34)31-11-10-17-4-1-2-7-22(17)31/h1-9,12-13,15-16,28H,10-11,14H2,(H,30,33).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide has a molecular weight of 472.94 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[3-(2,3-dihydroindole-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 60607913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).