5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide

C20H17ClN2O4 — CID 43071965

IUPAC5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc3c(c2)NC(=O)CO3)oc2ccc(Cl)cc12
InChIInChI=1S/C20H17ClN2O4/c1-10-14-8-13(21)4-6-16(14)27-19(10)20(25)22-11(2)12-3-5-17-15(7-12)23-18(24)9-26-17/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOKTJGMMGOIENLQ-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.22
Rot. Bonds3

About 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 43071965) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID43071965
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc3c(c2)NC(=O)CO3)oc2ccc(Cl)cc12
InChIInChI=1S/C20H17ClN2O4/c1-10-14-8-13(21)4-6-16(14)27-19(10)20(25)22-11(2)12-3-5-17-15(7-12)23-18(24)9-26-17/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOKTJGMMGOIENLQ-UHFFFAOYSA-N
XLogP4.22
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94163839
5-chloro-3-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 46433020
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
3-amino-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]butanamide;hydrochloride
CID 119728794
2-(4-methylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43071969
N-(4-chloro-3-fluorophenyl)-N'-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]oxamide
CID 46199761
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8555797
5-chloro-3-methyl-N-(5-methylhexan-2-yl)-1-benzofuran-2-carboxamide
CID 16561047
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 61499457
2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 38958990
2-(2-methoxyethoxy)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 94022978
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8700752

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide (CID 43071965) is 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)c2ccc3c(c2)NC(=O)CO3)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is OKTJGMMGOIENLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-10-14-8-13(21)4-6-16(14)27-19(10)20(25)22-11(2)12-3-5-17-15(7-12)23-18(24)9-26-17/h3-8,11H,9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43071965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).