4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide

C16H14BrClFNO2 — CID 96525554

IUPAC4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Br)cc1)[C@H](O)c1c(F)cccc1Cl
InChIInChI=1S/C16H14BrClFNO2/c1-9(15(21)14-12(18)3-2-4-13(14)19)20-16(22)10-5-7-11(17)8-6-10/h2-9,15,21H,1H3,(H,20,22)/t9-,15-/m0/s1
InChIKeyIZGJUUZUMSOGJW-VFZGTOFNSA-N
MW386.65 g/mol
LogP4.09
Rot. Bonds4

About 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide

4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide (PubChem CID 96525554) has the molecular formula C16H14BrClFNO2 and a molecular weight of 386.65 g/mol. Its IUPAC name is 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide
PubChem CID96525554
Molecular FormulaC16H14BrClFNO2
Molecular Weight386.65 g/mol
Exact Mass384.99
IUPAC Name4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Br)cc1)[C@H](O)c1c(F)cccc1Cl
InChIInChI=1S/C16H14BrClFNO2/c1-9(15(21)14-12(18)3-2-4-13(14)19)20-16(22)10-5-7-11(17)8-6-10/h2-9,15,21H,1H3,(H,20,22)/t9-,15-/m0/s1
InChIKeyIZGJUUZUMSOGJW-VFZGTOFNSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methylpyrazine-2-carboxamide
CID 71980504
N-[(1S,2R)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methylpyrazine-2-carboxamide
CID 96570446
N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97004815
N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 71864154
4-bromo-N-(3-chlorobutan-2-yl)benzamide
CID 131162953
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide
CID 99848146
(1S)-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 97069001
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide (CID 96525554) is 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide is C[C@H](NC(=O)c1ccc(Br)cc1)[C@H](O)c1c(F)cccc1Cl.
What is the InChIKey of 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide?
The InChIKey is IZGJUUZUMSOGJW-VFZGTOFNSA-N. The full InChI is InChI=1S/C16H14BrClFNO2/c1-9(15(21)14-12(18)3-2-4-13(14)19)20-16(22)10-5-7-11(17)8-6-10/h2-9,15,21H,1H3,(H,20,22)/t9-,15-/m0/s1.
What are the key properties of 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide?
4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide has a molecular weight of 386.65 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 96525554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).