ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate

C23H24FN3O4 — CID 165179953

IUPACethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(Nc3ccc(F)c(OCC4CC4)c3)cc(NC(C)=O)cc2[nH]1
InChIInChI=1S/C23H24FN3O4/c1-3-30-23(29)21-11-17-19(8-16(25-13(2)28)9-20(17)27-21)26-15-6-7-18(24)22(10-15)31-12-14-4-5-14/h6-11,14,26-27H,3-5,12H2,1-2H3,(H,25,28)
InChIKeyZXOIIRCFLNQVMP-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.97
Rot. Bonds8

About ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate

ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate (PubChem CID 165179953) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate
PubChem CID165179953
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Nameethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(Nc3ccc(F)c(OCC4CC4)c3)cc(NC(C)=O)cc2[nH]1
InChIInChI=1S/C23H24FN3O4/c1-3-30-23(29)21-11-17-19(8-16(25-13(2)28)9-20(17)27-21)26-15-6-7-18(24)22(10-15)31-12-14-4-5-14/h6-11,14,26-27H,3-5,12H2,1-2H3,(H,25,28)
InChIKeyZXOIIRCFLNQVMP-UHFFFAOYSA-N
XLogP4.97
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate
CID 165179973
ethyl 6-acetamido-4-[4-(trifluoromethoxy)anilino]-1H-indole-2-carboxylate
CID 165179871
ethyl 4-(4-fluoro-3-nitroanilino)-6-methyl-1H-indole-2-carboxylate
CID 165179878
ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate
CID 66841782
ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate
CID 165179912
N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
CID 141315401
ethyl 7-fluoro-4-(3-fluoro-4-phenoxyanilino)-1H-indole-2-carboxylate
CID 165179889
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate
CID 139270847
methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate
CID 141315431
4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione
CID 142361145
N-(3,4-diethoxyphenyl)acetamide
CID 13120229

Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate (CID 165179953) is ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate is CCOC(=O)c1cc2c(Nc3ccc(F)c(OCC4CC4)c3)cc(NC(C)=O)cc2[nH]1.
What is the InChIKey of ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate?
The InChIKey is ZXOIIRCFLNQVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-3-30-23(29)21-11-17-19(8-16(25-13(2)28)9-20(17)27-21)26-15-6-7-18(24)22(10-15)31-12-14-4-5-14/h6-11,14,26-27H,3-5,12H2,1-2H3,(H,25,28).
What are the key properties of ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate?
ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate has a molecular weight of 425.46 g/mol, XLogP of 4.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate is sourced from PubChem (CID 165179953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).