5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide

C19H17ClN2O2 — CID 162409385

IUPAC5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC(C=O)Cc2ccccc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O2/c1-12-16-10-14(20)7-8-17(16)22-18(12)19(24)21-15(11-23)9-13-5-3-2-4-6-13/h2-8,10-11,15,22H,9H2,1H3,(H,21,24)
InChIKeyAEOKFQLSTRYGLH-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.67
Rot. Bonds5

About 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide

5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide (PubChem CID 162409385) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide
PubChem CID162409385
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC(C=O)Cc2ccccc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O2/c1-12-16-10-14(20)7-8-17(16)22-18(12)19(24)21-15(11-23)9-13-5-3-2-4-6-13/h2-8,10-11,15,22H,9H2,1H3,(H,21,24)
InChIKeyAEOKFQLSTRYGLH-UHFFFAOYSA-N
XLogP3.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide (CID 162409385) is 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide is Cc1c(C(=O)NC(C=O)Cc2ccccc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is AEOKFQLSTRYGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12-16-10-14(20)7-8-17(16)22-18(12)19(24)21-15(11-23)9-13-5-3-2-4-6-13/h2-8,10-11,15,22H,9H2,1H3,(H,21,24).
What are the key properties of 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide?
5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 162409385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).