N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide

C26H25N3O3 — CID 1091802

IUPACN-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C26H25N3O3/c30-23(16-29-22-15-7-9-17-8-6-13-20(24(17)22)26(29)32)28-21-14-5-4-12-19(21)25(31)27-18-10-2-1-3-11-18/h4-9,12-15,18H,1-3,10-11,16H2,(H,27,31)(H,28,30)
InChIKeyRQZYJVRYPUXPIA-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.50
Rot. Bonds5

About N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide

N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide (PubChem CID 1091802) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide
PubChem CID1091802
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C26H25N3O3/c30-23(16-29-22-15-7-9-17-8-6-13-20(24(17)22)26(29)32)28-21-14-5-4-12-19(21)25(31)27-18-10-2-1-3-11-18/h4-9,12-15,18H,1-3,10-11,16H2,(H,27,31)(H,28,30)
InChIKeyRQZYJVRYPUXPIA-UHFFFAOYSA-N
XLogP4.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1085704
methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1084274
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347
2-(2-oxobenzo[cd]indol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 989246
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 7894076
2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175751
(2R)-2-[benzyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-cyclohexylbutanamide
CID 100525524
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide
CID 17385247
2-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-N-cyclopropylbenzamide
CID 2681212
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168517830

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide (CID 1091802) is N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide is O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide?
The InChIKey is RQZYJVRYPUXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-23(16-29-22-15-7-9-17-8-6-13-20(24(17)22)26(29)32)28-21-14-5-4-12-19(21)25(31)27-18-10-2-1-3-11-18/h4-9,12-15,18H,1-3,10-11,16H2,(H,27,31)(H,28,30).
What are the key properties of N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide?
N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide has a molecular weight of 427.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 1091802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).