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

C19H19BrFNO3 — CID 55579974

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(C)Cc2cc(Br)ccc2F)cc1OC
InChIInChI=1S/C19H19BrFNO3/c1-4-9-25-17-8-5-13(11-18(17)24-3)19(23)22(2)12-14-10-15(20)6-7-16(14)21/h4-8,10-11H,1,9,12H2,2-3H3
InChIKeyFGDJSIPYLLJCPX-UHFFFAOYSA-N
MW408.27 g/mol
LogP4.43
Rot. Bonds7

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

N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide (PubChem CID 55579974) has the molecular formula C19H19BrFNO3 and a molecular weight of 408.27 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
PubChem CID55579974
Molecular FormulaC19H19BrFNO3
Molecular Weight408.27 g/mol
Exact Mass407.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N(C)Cc2cc(Br)ccc2F)cc1OC
InChIInChI=1S/C19H19BrFNO3/c1-4-9-25-17-8-5-13(11-18(17)24-3)19(23)22(2)12-14-10-15(20)6-7-16(14)21/h4-8,10-11H,1,9,12H2,2-3H3
InChIKeyFGDJSIPYLLJCPX-UHFFFAOYSA-N
XLogP4.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3,4-dimethoxy-N-methyl-5-prop-2-enylbenzamide
CID 55580184
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
1-[4-[(5-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 28530286
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 55579436
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
N-(1-adamantylmethyl)-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 42576424
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
4-bromo-3,5-dimethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090762
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide (CID 55579974) is N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N(C)Cc2cc(Br)ccc2F)cc1OC.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide?
The InChIKey is FGDJSIPYLLJCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO3/c1-4-9-25-17-8-5-13(11-18(17)24-3)19(23)22(2)12-14-10-15(20)6-7-16(14)21/h4-8,10-11H,1,9,12H2,2-3H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide has a molecular weight of 408.27 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide is sourced from PubChem (CID 55579974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).