N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide

C31H32FN3O3 — CID 3190743

IUPACN-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C31H32FN3O3/c1-38-26-17-15-25(16-18-26)35(29(36)19-22-20-33-28-10-6-5-9-27(22)28)30(21-11-13-23(32)14-12-21)31(37)34-24-7-3-2-4-8-24/h5-6,9-18,20,24,30,33H,2-4,7-8,19H2,1H3,(H,34,37)
InChIKeyGZKWVKCWPKMBCG-UHFFFAOYSA-N
MW513.61 g/mol
LogP6.08
Rot. Bonds8

About N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide

N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide (PubChem CID 3190743) has the molecular formula C31H32FN3O3 and a molecular weight of 513.61 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide
PubChem CID3190743
Molecular FormulaC31H32FN3O3
Molecular Weight513.61 g/mol
Exact Mass513.24
IUPAC NameN-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C31H32FN3O3/c1-38-26-17-15-25(16-18-26)35(29(36)19-22-20-33-28-10-6-5-9-27(22)28)30(21-11-13-23(32)14-12-21)31(37)34-24-7-3-2-4-8-24/h5-6,9-18,20,24,30,33H,2-4,7-8,19H2,1H3,(H,34,37)
InChIKeyGZKWVKCWPKMBCG-UHFFFAOYSA-N
XLogP6.08
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.61
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide (CID 3190743) is N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide is COc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide?
The InChIKey is GZKWVKCWPKMBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN3O3/c1-38-26-17-15-25(16-18-26)35(29(36)19-22-20-33-28-10-6-5-9-27(22)28)30(21-11-13-23(32)14-12-21)31(37)34-24-7-3-2-4-8-24/h5-6,9-18,20,24,30,33H,2-4,7-8,19H2,1H3,(H,34,37).
What are the key properties of N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide?
N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide has a molecular weight of 513.61 g/mol, XLogP of 6.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide is sourced from PubChem (CID 3190743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).