2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

C24H24ClN5O2 — CID 145141408

IUPAC2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCCCc1c(C=O)c2cc(C)ccc2n1CNC(=O)c1ccc(-n2cnc(C)n2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-4-5-22-20(12-31)19-10-15(2)6-9-23(19)29(22)13-27-24(32)18-8-7-17(11-21(18)25)30-14-26-16(3)28-30/h6-12,14H,4-5,13H2,1-3H3,(H,27,32)
InChIKeyMEVNNDVHTQRPOI-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.64
Rot. Bonds7

About 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 145141408) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
PubChem CID145141408
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCCCc1c(C=O)c2cc(C)ccc2n1CNC(=O)c1ccc(-n2cnc(C)n2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-4-5-22-20(12-31)19-10-15(2)6-9-23(19)29(22)13-27-24(32)18-8-7-17(11-21(18)25)30-14-26-16(3)28-30/h6-12,14H,4-5,13H2,1-3H3,(H,27,32)
InChIKeyMEVNNDVHTQRPOI-UHFFFAOYSA-N
XLogP4.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (CID 145141408) is 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is CCCc1c(C=O)c2cc(C)ccc2n1CNC(=O)c1ccc(-n2cnc(C)n2)cc1Cl.
What is the InChIKey of 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The InChIKey is MEVNNDVHTQRPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-4-5-22-20(12-31)19-10-15(2)6-9-23(19)29(22)13-27-24(32)18-8-7-17(11-21(18)25)30-14-26-16(3)28-30/h6-12,14H,4-5,13H2,1-3H3,(H,27,32).
What are the key properties of 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 449.94 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-formyl-5-methyl-2-propylindol-1-yl)methyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 145141408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).