3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide

C20H16Cl2N6O2 — CID 60545169

IUPAC3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1)n1cncn1
InChIInChI=1S/C20H16Cl2N6O2/c1-11(28-10-23-9-24-28)19(29)25-13-3-5-14(6-4-13)26-20(30)18-17(22)15-8-12(21)2-7-16(15)27-18/h2-11,27H,1H3,(H,25,29)(H,26,30)
InChIKeyVTSRIIGGTDJCJW-UHFFFAOYSA-N
MW443.29 g/mol
LogP4.52
Rot. Bonds5

About 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide

3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide (PubChem CID 60545169) has the molecular formula C20H16Cl2N6O2 and a molecular weight of 443.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
PubChem CID60545169
Molecular FormulaC20H16Cl2N6O2
Molecular Weight443.29 g/mol
Exact Mass442.07
IUPAC Name3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1)n1cncn1
InChIInChI=1S/C20H16Cl2N6O2/c1-11(28-10-23-9-24-28)19(29)25-13-3-5-14(6-4-13)26-20(30)18-17(22)15-8-12(21)2-7-16(15)27-18/h2-11,27H,1H3,(H,25,29)(H,26,30)
InChIKeyVTSRIIGGTDJCJW-UHFFFAOYSA-N
XLogP4.52
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
2,4-dichloro-5-fluoro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46439736
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299
5-bromo-2-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 55622456
6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide
CID 43071048
N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16783732
2-(4-chlorophenyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 46402676
5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 43071036
3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787
N-[4-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60530203
N-[4-[3-(4-chlorophenyl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42959524

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide (CID 60545169) is 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide is CC(C(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1)n1cncn1.
What is the InChIKey of 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide?
The InChIKey is VTSRIIGGTDJCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6O2/c1-11(28-10-23-9-24-28)19(29)25-13-3-5-14(6-4-13)26-20(30)18-17(22)15-8-12(21)2-7-16(15)27-18/h2-11,27H,1H3,(H,25,29)(H,26,30).
What are the key properties of 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide?
3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide has a molecular weight of 443.29 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 60545169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).