4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C19H15BrN2O4 — CID 46450931

IUPAC4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc3cccc(Br)c3o2)c2ccccc2O1
InChIInChI=1S/C19H15BrN2O4/c1-21-18(23)16-10-22(13-7-2-3-8-14(13)25-16)19(24)15-9-11-5-4-6-12(20)17(11)26-15/h2-9,16H,10H2,1H3,(H,21,23)
InChIKeyOAWRRIFZCGVXTJ-UHFFFAOYSA-N
MW415.24 g/mol
LogP3.35
Rot. Bonds2

About 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 46450931) has the molecular formula C19H15BrN2O4 and a molecular weight of 415.24 g/mol. Its IUPAC name is 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID46450931
Molecular FormulaC19H15BrN2O4
Molecular Weight415.24 g/mol
Exact Mass414.02
IUPAC Name4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc3cccc(Br)c3o2)c2ccccc2O1
InChIInChI=1S/C19H15BrN2O4/c1-21-18(23)16-10-22(13-7-2-3-8-14(13)25-16)19(24)15-9-11-5-4-6-12(20)17(11)26-15/h2-9,16H,10H2,1H3,(H,21,23)
InChIKeyOAWRRIFZCGVXTJ-UHFFFAOYSA-N
XLogP3.35
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-methyl-4-(4-methyl-3-sulfamoylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8947265
(2R)-4-(4-tert-butylbenzoyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945213
(2R)-N-methyl-4-(4-methylsulfanylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946622
(2S)-4-(2-chloroacetyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25323366
(2R)-N-methyl-4-[4-(2-methylpropyl)benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946371
(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
CID 65244577
(2S)-N-methyl-4-(2-naphthalen-1-yloxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 26711422
4-(2,2-diphenylacetyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46616396
4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46616531
(2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51955806
(2R)-N-methyl-4-(4-phenylmethoxybenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945926
(2S)-4-(2-benzamidoacetyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945193

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 46450931) is 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2cc3cccc(Br)c3o2)c2ccccc2O1.
What is the InChIKey of 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is OAWRRIFZCGVXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O4/c1-21-18(23)16-10-22(13-7-2-3-8-14(13)25-16)19(24)15-9-11-5-4-6-12(20)17(11)26-15/h2-9,16H,10H2,1H3,(H,21,23).
What are the key properties of 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 415.24 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-1-benzofuran-2-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 46450931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).