5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide

C28H28FN3O3 — CID 83287983

IUPAC5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NC(=O)Cc3ccc(F)cc3)ccc2n1Cc1cccc(C)c1
InChIInChI=1S/C28H28FN3O3/c1-19-4-3-5-21(14-19)18-32-25-11-10-24(31-27(33)15-20-6-8-23(29)9-7-20)16-22(25)17-26(32)28(34)30-12-13-35-2/h3-11,14,16-17H,12-13,15,18H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyVHZVINSLVQOMIY-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.69
Rot. Bonds9

About 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide

5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide (PubChem CID 83287983) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
PubChem CID83287983
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC Name5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NC(=O)Cc3ccc(F)cc3)ccc2n1Cc1cccc(C)c1
InChIInChI=1S/C28H28FN3O3/c1-19-4-3-5-21(14-19)18-32-25-11-10-24(31-27(33)15-20-6-8-23(29)9-7-20)16-22(25)17-26(32)28(34)30-12-13-35-2/h3-11,14,16-17H,12-13,15,18H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyVHZVINSLVQOMIY-UHFFFAOYSA-N
XLogP4.69
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
CID 83284031
5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 42808901
N-benzyl-1-[(3-methylphenyl)methyl]-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83287300
1-[(4-tert-butylphenyl)methyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-N-(furan-2-ylmethyl)indole-2-carboxamide
CID 83272495
5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846526
5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 91635435
5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide
CID 90488214
1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83278388
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide (CID 83287983) is 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide is COCCNC(=O)c1cc2cc(NC(=O)Cc3ccc(F)cc3)ccc2n1Cc1cccc(C)c1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The InChIKey is VHZVINSLVQOMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3/c1-19-4-3-5-21(14-19)18-32-25-11-10-24(31-27(33)15-20-6-8-23(29)9-7-20)16-22(25)17-26(32)28(34)30-12-13-35-2/h3-11,14,16-17H,12-13,15,18H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 83287983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).