3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide

C22H23N3O3 — CID 174532712

IUPAC3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide
SMILESNC(=O)N1C(=O)C(NC(=O)c2ccccc2)c2cc(C3CCCCC3)ccc21
InChIInChI=1S/C22H23N3O3/c23-22(28)25-18-12-11-16(14-7-3-1-4-8-14)13-17(18)19(21(25)27)24-20(26)15-9-5-2-6-10-15/h2,5-6,9-14,19H,1,3-4,7-8H2,(H2,23,28)(H,24,26)
InChIKeyXVISJYBBLLAUIW-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.63
Rot. Bonds3

About 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide

3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide (PubChem CID 174532712) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide.

Molecular Properties

Compound Name3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide
PubChem CID174532712
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide
SMILESNC(=O)N1C(=O)C(NC(=O)c2ccccc2)c2cc(C3CCCCC3)ccc21
InChIInChI=1S/C22H23N3O3/c23-22(28)25-18-12-11-16(14-7-3-1-4-8-14)13-17(18)19(21(25)27)24-20(26)15-9-5-2-6-10-15/h2,5-6,9-14,19H,1,3-4,7-8H2,(H2,23,28)(H,24,26)
InChIKeyXVISJYBBLLAUIW-UHFFFAOYSA-N
XLogP3.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide?
The IUPAC name of 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide (CID 174532712) is 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide.
What is the SMILES notation for 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide?
The canonical SMILES for 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide is NC(=O)N1C(=O)C(NC(=O)c2ccccc2)c2cc(C3CCCCC3)ccc21.
What is the InChIKey of 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide?
The InChIKey is XVISJYBBLLAUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c23-22(28)25-18-12-11-16(14-7-3-1-4-8-14)13-17(18)19(21(25)27)24-20(26)15-9-5-2-6-10-15/h2,5-6,9-14,19H,1,3-4,7-8H2,(H2,23,28)(H,24,26).
What are the key properties of 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide?
3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide is sourced from PubChem (CID 174532712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).