2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide

C18H19BrFNO2 — CID 51727732

IUPAC2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C18H19BrFNO2/c1-11(2)23-15-6-4-5-13(9-15)12(3)21-18(22)16-8-7-14(20)10-17(16)19/h4-12H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyHKRCSHSZNMFXSS-GFCCVEGCSA-N
MW380.26 g/mol
LogP4.87
Rot. Bonds5

About 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide

2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 51727732) has the molecular formula C18H19BrFNO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID51727732
Molecular FormulaC18H19BrFNO2
Molecular Weight380.26 g/mol
Exact Mass379.06
IUPAC Name2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C18H19BrFNO2/c1-11(2)23-15-6-4-5-13(9-15)12(3)21-18(22)16-8-7-14(20)10-17(16)19/h4-12H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyHKRCSHSZNMFXSS-GFCCVEGCSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
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2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
2-bromo-4-fluoro-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55821144
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
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CID 46579861
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
N-[1-(3-aminophenyl)ethyl]-2-bromo-5-fluorobenzamide
CID 43297707
3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
CID 55710254
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 78987865

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide (CID 51727732) is 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide is CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(F)cc2Br)c1.
What is the InChIKey of 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is HKRCSHSZNMFXSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19BrFNO2/c1-11(2)23-15-6-4-5-13(9-15)12(3)21-18(22)16-8-7-14(20)10-17(16)19/h4-12H,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 380.26 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 51727732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).