4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide

C23H18FN3O2S — CID 18913097

IUPAC4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc(F)cc2)c1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C23H18FN3O2S/c24-17-7-4-16(5-8-17)23(29)27-18-2-1-3-20(12-18)30-14-22(28)26-19-9-6-15-10-11-25-21(15)13-19/h1-13,25H,14H2,(H,26,28)(H,27,29)
InChIKeyVQZDMWWGKUXPON-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.29
Rot. Bonds6

About 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide

4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18913097) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID18913097
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc(F)cc2)c1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C23H18FN3O2S/c24-17-7-4-16(5-8-17)23(29)27-18-2-1-3-20(12-18)30-14-22(28)26-19-9-6-15-10-11-25-21(15)13-19/h1-13,25H,14H2,(H,26,28)(H,27,29)
InChIKeyVQZDMWWGKUXPON-UHFFFAOYSA-N
XLogP5.29
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 19298489
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 18904222
N-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905079
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908206
N-[(E)-3-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19321069
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908218
4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299599
N-[3-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 18904197
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907054
N-[3-(cyanomethylsulfanyl)phenyl]-4-fluorobenzamide
CID 19318372
N-[3-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18903647

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 18913097) is 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide is O=C(CSc1cccc(NC(=O)c2ccc(F)cc2)c1)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is VQZDMWWGKUXPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c24-17-7-4-16(5-8-17)23(29)27-18-2-1-3-20(12-18)30-14-22(28)26-19-9-6-15-10-11-25-21(15)13-19/h1-13,25H,14H2,(H,26,28)(H,27,29).
What are the key properties of 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 419.48 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18913097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).