2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide

C18H16FN3O2 — CID 134351169

IUPAC2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1F)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C18H16FN3O2/c1-11(21-18(24)12-5-2-3-6-14(12)19)17(23)22-16-8-4-7-15-13(16)9-10-20-15/h2-11,20H,1H3,(H,21,24)(H,22,23)
InChIKeyQYXOGVOKTSLBQF-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.06
Rot. Bonds4

About 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide

2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 134351169) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide
PubChem CID134351169
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1F)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C18H16FN3O2/c1-11(21-18(24)12-5-2-3-6-14(12)19)17(23)22-16-8-4-7-15-13(16)9-10-20-15/h2-11,20H,1H3,(H,21,24)(H,22,23)
InChIKeyQYXOGVOKTSLBQF-UHFFFAOYSA-N
XLogP3.06
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909
2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide
CID 92664485
N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide
CID 134351103
2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 51606040
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 46756631
tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
CID 80998151
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide (CID 134351169) is 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1F)C(=O)Nc1cccc2[nH]ccc12.
What is the InChIKey of 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is QYXOGVOKTSLBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11(21-18(24)12-5-2-3-6-14(12)19)17(23)22-16-8-4-7-15-13(16)9-10-20-15/h2-11,20H,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide?
2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 134351169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).