ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate

C20H19FN2O3 — CID 163773254

IUPACethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1c[nH]c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C20H19FN2O3/c1-2-26-19(24)11-18(13-6-5-7-14(21)10-13)23-20(25)16-12-22-17-9-4-3-8-15(16)17/h3-10,12,18,22H,2,11H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyMIFNJEIVWCBLDH-SFHVURJKSA-N
MW354.38 g/mol
LogP3.73
Rot. Bonds6

About ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate

ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate (PubChem CID 163773254) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate
PubChem CID163773254
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Nameethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate
SMILESCCOC(=O)C[C@H](NC(=O)c1c[nH]c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C20H19FN2O3/c1-2-26-19(24)11-18(13-6-5-7-14(21)10-13)23-20(25)16-12-22-17-9-4-3-8-15(16)17/h3-10,12,18,22H,2,11H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyMIFNJEIVWCBLDH-SFHVURJKSA-N
XLogP3.73
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55876805
ethyl (3S)-3-[(2-cyclopropyloxyacetyl)amino]-3-(3-fluorophenyl)propanoate
CID 163413081
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
methyl (3S)-3-[(5-fluoro-1H-indole-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 97062524
ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55879747
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate
CID 120626395
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate?
The IUPAC name of ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate (CID 163773254) is ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate.
What is the SMILES notation for ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate?
The canonical SMILES for ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate is CCOC(=O)C[C@H](NC(=O)c1c[nH]c2ccccc12)c1cccc(F)c1.
What is the InChIKey of ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate?
The InChIKey is MIFNJEIVWCBLDH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-2-26-19(24)11-18(13-6-5-7-14(21)10-13)23-20(25)16-12-22-17-9-4-3-8-15(16)17/h3-10,12,18,22H,2,11H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate?
ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate has a molecular weight of 354.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate is sourced from PubChem (CID 163773254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).