4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

C16H13BrFNO2 — CID 103860602

IUPAC4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H13BrFNO2/c17-12-6-5-10(7-13(12)18)16(21)19-15-11-4-2-1-3-9(11)8-14(15)20/h1-7,14-15,20H,8H2,(H,19,21)/t14-,15+/m0/s1
InChIKeyMXEZKEVUPLMTJD-LSDHHAIUSA-N
MW350.19 g/mol
LogP2.98
Rot. Bonds2

About 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 103860602) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID103860602
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)c(F)c1
InChIInChI=1S/C16H13BrFNO2/c17-12-6-5-10(7-13(12)18)16(21)19-15-11-4-2-1-3-9(11)8-14(15)20/h1-7,14-15,20H,8H2,(H,19,21)/t14-,15+/m0/s1
InChIKeyMXEZKEVUPLMTJD-LSDHHAIUSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
3-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide
CID 110903576
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane
CID 144548156
2-bromo-6-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 115867109
5-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-carboxamide
CID 103816737
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 61369497
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (CID 103860602) is 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is MXEZKEVUPLMTJD-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c17-12-6-5-10(7-13(12)18)16(21)19-15-11-4-2-1-3-9(11)8-14(15)20/h1-7,14-15,20H,8H2,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 350.19 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 103860602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).