3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide

C18H19BrFNO3 — CID 8869293

IUPAC3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C18H19BrFNO3/c1-3-8-24-17-14(19)9-13(10-16(17)23-2)18(22)21-11-12-6-4-5-7-15(12)20/h4-7,9-10H,3,8,11H2,1-2H3,(H,21,22)
InChIKeyQNCJJSFZNVCYAV-UHFFFAOYSA-N
MW396.26 g/mol
LogP4.32
Rot. Bonds7

About 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide

3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide (PubChem CID 8869293) has the molecular formula C18H19BrFNO3 and a molecular weight of 396.26 g/mol. Its IUPAC name is 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
PubChem CID8869293
Molecular FormulaC18H19BrFNO3
Molecular Weight396.26 g/mol
Exact Mass395.05
IUPAC Name3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C18H19BrFNO3/c1-3-8-24-17-14(19)9-13(10-16(17)23-2)18(22)21-11-12-6-4-5-7-15(12)20/h4-7,9-10H,3,8,11H2,1-2H3,(H,21,22)
InChIKeyQNCJJSFZNVCYAV-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-propoxybenzamide
CID 55717157
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-bromo-N-[cyano-(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 56572153
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983
3-bromo-N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 26722982
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide (CID 8869293) is 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)NCc2ccccc2F)cc1OC.
What is the InChIKey of 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide?
The InChIKey is QNCJJSFZNVCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO3/c1-3-8-24-17-14(19)9-13(10-16(17)23-2)18(22)21-11-12-6-4-5-7-15(12)20/h4-7,9-10H,3,8,11H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide?
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide has a molecular weight of 396.26 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 8869293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).