ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate

C22H24FN3O4 — CID 165179973

IUPACethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate
SMILESCCCOc1cc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)OCC)cc23)ccc1F
InChIInChI=1S/C22H24FN3O4/c1-4-8-30-21-11-14(6-7-17(21)23)25-18-9-15(24-13(3)27)10-19-16(18)12-20(26-19)22(28)29-5-2/h6-7,9-12,25-26H,4-5,8H2,1-3H3,(H,24,27)
InChIKeyUOLYZJGUUDLWQN-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.97
Rot. Bonds8

About ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate

ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate (PubChem CID 165179973) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate
PubChem CID165179973
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Nameethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate
SMILESCCCOc1cc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)OCC)cc23)ccc1F
InChIInChI=1S/C22H24FN3O4/c1-4-8-30-21-11-14(6-7-17(21)23)25-18-9-15(24-13(3)27)10-19-16(18)12-20(26-19)22(28)29-5-2/h6-7,9-12,25-26H,4-5,8H2,1-3H3,(H,24,27)
InChIKeyUOLYZJGUUDLWQN-UHFFFAOYSA-N
XLogP4.97
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate
CID 165179953
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-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate
CID 165179912
6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid
CID 162659106
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
4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine
CID 63671478
1-N,3-N-bis(4-fluoro-3-propoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157147
methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate
CID 90682247
N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
CID 36800098
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334

Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate (CID 165179973) is ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate is CCCOc1cc(Nc2cc(NC(C)=O)cc3[nH]c(C(=O)OCC)cc23)ccc1F.
What is the InChIKey of ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate?
The InChIKey is UOLYZJGUUDLWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-4-8-30-21-11-14(6-7-17(21)23)25-18-9-15(24-13(3)27)10-19-16(18)12-20(26-19)22(28)29-5-2/h6-7,9-12,25-26H,4-5,8H2,1-3H3,(H,24,27).
What are the key properties of ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate?
ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate has a molecular weight of 413.45 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-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate is sourced from PubChem (CID 165179973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).