N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

C24H24ClFN2O6 — CID 169127241

IUPACN-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCOCCN1C(=O)c2oc3ccccc3c2OCC1(C)C(=O)NCc1cc(Cl)c(F)cc1OC
InChIInChI=1S/C24H24ClFN2O6/c1-24(23(30)27-12-14-10-16(25)17(26)11-19(14)32-3)13-33-20-15-6-4-5-7-18(15)34-21(20)22(29)28(24)8-9-31-2/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,27,30)
InChIKeyNCKVFCSSCIDLRP-UHFFFAOYSA-N
MW490.92 g/mol
LogP3.79
Rot. Bonds7

About N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (PubChem CID 169127241) has the molecular formula C24H24ClFN2O6 and a molecular weight of 490.92 g/mol. Its IUPAC name is N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
PubChem CID169127241
Molecular FormulaC24H24ClFN2O6
Molecular Weight490.92 g/mol
Exact Mass490.13
IUPAC NameN-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
SMILESCOCCN1C(=O)c2oc3ccccc3c2OCC1(C)C(=O)NCc1cc(Cl)c(F)cc1OC
InChIInChI=1S/C24H24ClFN2O6/c1-24(23(30)27-12-14-10-16(25)17(26)11-19(14)32-3)13-33-20-15-6-4-5-7-18(15)34-21(20)22(29)28(24)8-9-31-2/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,27,30)
InChIKeyNCKVFCSSCIDLRP-UHFFFAOYSA-N
XLogP3.79
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide with MolForge

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Related Compounds

(3S)-4-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 92891579
N-[(2,4-dichloro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 169127268
hydrogen peroxide;N-[(2-hydroxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide;vanadium
CID 169127441
(3R)-8-bromo-4-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 169127286
2-[9-chloro-3-[(2-methoxyphenyl)methylcarbamoyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepin-4-yl]acetic acid
CID 169127367
(3S)-3-N-[(2-fluoro-6-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-8-N-(3-methyloxetan-3-yl)-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3,8-dicarboxamide
CID 169127198
N-cyclopentyl-4-[(2-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 50791582
11-[2-(dimethylamino)-2-oxoethyl]-12-[(2-methoxyphenyl)methylcarbamoyl]-12-methyl-10-oxo-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-5-carboxylic acid
CID 169127226
N-cyclopentyl-4-[(3-fluorophenyl)methyl]-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 50791554
N-cyclopentyl-3-methyl-4-[(2-methylphenyl)methyl]-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 50791551
(3S)-N-cyclopentyl-3-methyl-5-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
CID 92749436
11-[2-(dimethylamino)-2-oxoethyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-12-methyl-10-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8,14-dioxa-3,11-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-12-carboxamide
CID 172632627

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The IUPAC name of N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide (CID 169127241) is N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is COCCN1C(=O)c2oc3ccccc3c2OCC1(C)C(=O)NCc1cc(Cl)c(F)cc1OC.
What is the InChIKey of N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
The InChIKey is NCKVFCSSCIDLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O6/c1-24(23(30)27-12-14-10-16(25)17(26)11-19(14)32-3)13-33-20-15-6-4-5-7-18(15)34-21(20)22(29)28(24)8-9-31-2/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,27,30).
What are the key properties of N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide?
N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide has a molecular weight of 490.92 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methyl-5-oxo-2H-[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide is sourced from PubChem (CID 169127241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).