(2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C22H19FN2O5 — CID 51955806

IUPAC(2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2ccc(COc3ccccc3F)o2)c2ccccc2O1
InChIInChI=1S/C22H19FN2O5/c1-24-21(26)20-12-25(16-7-3-5-9-18(16)30-20)22(27)19-11-10-14(29-19)13-28-17-8-4-2-6-15(17)23/h2-11,20H,12-13H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyFDSLAIHUHDZLCR-HXUWFJFHSA-N
MW410.40 g/mol
LogP3.15
Rot. Bonds5

About (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 51955806) has the molecular formula C22H19FN2O5 and a molecular weight of 410.40 g/mol. Its IUPAC name is (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID51955806
Molecular FormulaC22H19FN2O5
Molecular Weight410.40 g/mol
Exact Mass410.13
IUPAC Name(2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)c2ccc(COc3ccccc3F)o2)c2ccccc2O1
InChIInChI=1S/C22H19FN2O5/c1-24-21(26)20-12-25(16-7-3-5-9-18(16)30-20)22(27)19-11-10-14(29-19)13-28-17-8-4-2-6-15(17)23/h2-11,20H,12-13H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyFDSLAIHUHDZLCR-HXUWFJFHSA-N
XLogP3.15
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

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Related Compounds

4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46616531
(2R)-N-methyl-4-(4-phenylmethoxybenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945926
[5-[(2-fluorophenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 51954992
4-[4-(4-fluorophenoxy)benzoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 24517999
(2R)-4-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946308
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone
CID 71927748
(2R)-N-methyl-4-[4-(2-methylpropyl)benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946371
4-[2-(2-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46616532
(2S)-N-methyl-4-(2-naphthalen-1-yloxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 26711422
(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
(2S)-4-[2-(2,5-difluorophenyl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946713

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 51955806) is (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)c2ccc(COc3ccccc3F)o2)c2ccccc2O1.
What is the InChIKey of (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is FDSLAIHUHDZLCR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19FN2O5/c1-24-21(26)20-12-25(16-7-3-5-9-18(16)30-20)22(27)19-11-10-14(29-19)13-28-17-8-4-2-6-15(17)23/h2-11,20H,12-13H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 51955806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).