2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide

C19H20BrFN2O3 — CID 134008468

IUPAC2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C19H20BrFN2O3/c1-3-10-23(19(25)14-11-13(21)8-9-15(14)20)12-18(24)22-16-6-4-5-7-17(16)26-2/h4-9,11H,3,10,12H2,1-2H3,(H,22,24)
InChIKeyFSXMNMCDRQIDEJ-UHFFFAOYSA-N
MW423.28 g/mol
LogP4.09
Rot. Bonds7

About 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide

2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 134008468) has the molecular formula C19H20BrFN2O3 and a molecular weight of 423.28 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
PubChem CID134008468
Molecular FormulaC19H20BrFN2O3
Molecular Weight423.28 g/mol
Exact Mass422.06
IUPAC Name2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C19H20BrFN2O3/c1-3-10-23(19(25)14-11-13(21)8-9-15(14)20)12-18(24)22-16-6-4-5-7-17(16)26-2/h4-9,11H,3,10,12H2,1-2H3,(H,22,24)
InChIKeyFSXMNMCDRQIDEJ-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 76856671
N-[2-(2-methoxyanilino)-2-oxoethyl]-2-methyl-5-oxo-N-propyl-1H-pyrazole-3-carboxamide
CID 155957335
(E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 55754734
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
2-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 49318199
3-bromo-4-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773146
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 38794518

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide (CID 134008468) is 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is FSXMNMCDRQIDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3/c1-3-10-23(19(25)14-11-13(21)8-9-15(14)20)12-18(24)22-16-6-4-5-7-17(16)26-2/h4-9,11H,3,10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide?
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 423.28 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 134008468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).