4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide

C18H17BrClF2NO2 — CID 134470072

IUPAC4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide
SMILESCCC[C@H](C)Oc1cc(Br)c(F)cc1C(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C18H17BrClF2NO2/c1-3-5-10(2)25-16-9-12(19)15(22)8-11(16)18(24)23-17-13(20)6-4-7-14(17)21/h4,6-10H,3,5H2,1-2H3,(H,23,24)/t10-/m0/s1
InChIKeySMBWTSTWRVJCML-JTQLQIEISA-N
MW432.69 g/mol
LogP6.20
Rot. Bonds6

About 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide

4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide (PubChem CID 134470072) has the molecular formula C18H17BrClF2NO2 and a molecular weight of 432.69 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide
PubChem CID134470072
Molecular FormulaC18H17BrClF2NO2
Molecular Weight432.69 g/mol
Exact Mass431.01
IUPAC Name4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide
SMILESCCC[C@H](C)Oc1cc(Br)c(F)cc1C(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C18H17BrClF2NO2/c1-3-5-10(2)25-16-9-12(19)15(22)8-11(16)18(24)23-17-13(20)6-4-7-14(17)21/h4,6-10H,3,5H2,1-2H3,(H,23,24)/t10-/m0/s1
InChIKeySMBWTSTWRVJCML-JTQLQIEISA-N
XLogP6.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,6-difluorophenyl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 146483880
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-pentan-2-yloxybenzamide
CID 134474277
4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 134470036
5-fluoro-N-(2-fluoro-6-methylphenyl)-4-[3-(hydroxymethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-2-pentan-2-yloxybenzamide
CID 155338593
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[1-[3-(hydroxymethyl)azetidin-1-yl]ethenylamino]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 167594399
[2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-[(3-fluoropyrrolidine-1-carbonyl)amino]phenyl] hypofluorite;1,1,1-trifluoropropane
CID 156644014
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[1-(3-methylpyrrolidin-1-yl)ethenylamino]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 167594401
1-[4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-4-ethyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 142335828
2-[4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-2-(hydroxymethyl)azetidine-1-carboxamide
CID 175756899
N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 171574221
N-[4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-2-oxopyrrolidine-1-carboxamide
CID 175717115

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide?
The IUPAC name of 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide (CID 134470072) is 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide is CCC[C@H](C)Oc1cc(Br)c(F)cc1C(=O)Nc1c(F)cccc1Cl.
What is the InChIKey of 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide?
The InChIKey is SMBWTSTWRVJCML-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17BrClF2NO2/c1-3-5-10(2)25-16-9-12(19)15(22)8-11(16)18(24)23-17-13(20)6-4-7-14(17)21/h4,6-10H,3,5H2,1-2H3,(H,23,24)/t10-/m0/s1.
What are the key properties of 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide?
4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide has a molecular weight of 432.69 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-6-fluorophenyl)-5-fluoro-2-[(2S)-pentan-2-yl]oxybenzamide is sourced from PubChem (CID 134470072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).