5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide

C14H11ClN2O4 — CID 46516497

IUPAC5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3ccc(Cl)o3)cc2NC1=O
InChIInChI=1S/C14H11ClN2O4/c1-7-13(18)17-9-6-8(2-3-10(9)20-7)16-14(19)11-4-5-12(15)21-11/h2-7H,1H3,(H,16,19)(H,17,18)
InChIKeyOEGPCHGEBZTTHG-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.90
Rot. Bonds2

About 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide

5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide (PubChem CID 46516497) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
PubChem CID46516497
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3ccc(Cl)o3)cc2NC1=O
InChIInChI=1S/C14H11ClN2O4/c1-7-13(18)17-9-6-8(2-3-10(9)20-7)16-14(19)11-4-5-12(15)21-11/h2-7H,1H3,(H,16,19)(H,17,18)
InChIKeyOEGPCHGEBZTTHG-UHFFFAOYSA-N
XLogP2.90
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 9146393
4-(4-chlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 51958466
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18090700
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
4-bromo-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrrole-2-carboxamide
CID 18129806
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524350
5-(4-bromophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-3-carboxamide
CID 35576314
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide (CID 46516497) is 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide is CC1Oc2ccc(NC(=O)c3ccc(Cl)o3)cc2NC1=O.
What is the InChIKey of 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide?
The InChIKey is OEGPCHGEBZTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-7-13(18)17-9-6-8(2-3-10(9)20-7)16-14(19)11-4-5-12(15)21-11/h2-7H,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide?
5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 46516497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).