ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate

C15H17FN2O3 — CID 37254903

IUPACethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C15H17FN2O3/c1-2-21-14(19)4-3-7-17-15(20)13-9-10-8-11(16)5-6-12(10)18-13/h5-6,8-9,18H,2-4,7H2,1H3,(H,17,20)
InChIKeySCNAVCHOTXTAJA-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.38
Rot. Bonds6

About ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate

ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate (PubChem CID 37254903) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
PubChem CID37254903
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Nameethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C15H17FN2O3/c1-2-21-14(19)4-3-7-17-15(20)13-9-10-8-11(16)5-6-12(10)18-13/h5-6,8-9,18H,2-4,7H2,1H3,(H,17,20)
InChIKeySCNAVCHOTXTAJA-UHFFFAOYSA-N
XLogP2.38
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[(5-cyano-1H-indole-2-carbonyl)amino]pentanoate
CID 10805139
ethyl 4-[(4-fluoro-2-methylbenzoyl)amino]butanoate
CID 112702353
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
ethyl 2-[4-[(5-cyano-1H-indole-2-carbonyl)amino]butanoylamino]acetate
CID 10618238
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
ethyl 4-[(2,4,6-trifluorobenzoyl)amino]butanoate
CID 65100634
ethyl 5-[[5-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1H-indole-2-carbonyl]amino]pentanoate
CID 10574660
5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
CID 38572594
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 134034269
ethyl 4-[4-(1H-indole-2-carbonylamino)butanoyl]piperazine-1-carboxylate
CID 42568817
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate (CID 37254903) is ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate?
The InChIKey is SCNAVCHOTXTAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-2-21-14(19)4-3-7-17-15(20)13-9-10-8-11(16)5-6-12(10)18-13/h5-6,8-9,18H,2-4,7H2,1H3,(H,17,20).
What are the key properties of ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate?
ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate has a molecular weight of 292.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate is sourced from PubChem (CID 37254903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).