ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate

C18H15ClF2N2O2 — CID 165179912

IUPACethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)cc(C)c(F)c2[nH]1
InChIInChI=1S/C18H15ClF2N2O2/c1-3-25-18(24)15-8-11-14(6-9(2)16(21)17(11)23-15)22-10-4-5-13(20)12(19)7-10/h4-8,22-23H,3H2,1-2H3
InChIKeyFHFVUTPERYGKQJ-UHFFFAOYSA-N
MW364.78 g/mol
LogP5.33
Rot. Bonds4

About ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate

ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate (PubChem CID 165179912) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate
PubChem CID165179912
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC Nameethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)cc(C)c(F)c2[nH]1
InChIInChI=1S/C18H15ClF2N2O2/c1-3-25-18(24)15-8-11-14(6-9(2)16(21)17(11)23-15)22-10-4-5-13(20)12(19)7-10/h4-8,22-23H,3H2,1-2H3
InChIKeyFHFVUTPERYGKQJ-UHFFFAOYSA-N
XLogP5.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.78
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-fluoro-4-(3-fluoro-4-phenoxyanilino)-1H-indole-2-carboxylate
CID 165179889
ethyl 6-acetamido-4-(4-fluoro-3-propoxyanilino)-1H-indole-2-carboxylate
CID 165179973
ethyl 4-[4-(3-chloro-4-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoate
CID 69179720
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
1-O-tert-butyl 2-O-ethyl 4-(3-chloro-4-fluoroanilino)pyrrolo[2,3-b]pyridine-1,2-dicarboxylate
CID 165179994
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
ethyl N-(3-chloro-4-fluoroanilino)carbamate
CID 12787058
ethyl 6-chloro-4-(3,4-difluoroanilino)quinoline-2-carboxylate
CID 22425307
ethyl 6-acetamido-4-[3-(cyclopropylmethoxy)-4-fluoroanilino]-1H-indole-2-carboxylate
CID 165179953
ethyl 7-nitro-4-[3-(trifluoromethoxy)anilino]-1H-indole-2-carboxylate
CID 141488772
ethyl 4-(3-chloro-4-fluoroanilino)-3-methyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate;hydrochloride
CID 141134552
ethyl 4-(2-chloroanilino)-7-nitro-1H-indole-2-carboxylate
CID 141488806

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate (CID 165179912) is ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate is CCOC(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)cc(C)c(F)c2[nH]1.
What is the InChIKey of ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate?
The InChIKey is FHFVUTPERYGKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c1-3-25-18(24)15-8-11-14(6-9(2)16(21)17(11)23-15)22-10-4-5-13(20)12(19)7-10/h4-8,22-23H,3H2,1-2H3.
What are the key properties of ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate?
ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate has a molecular weight of 364.78 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chloro-4-fluoroanilino)-7-fluoro-6-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 165179912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).