1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione

C15H10ClNO3 — CID 771877

IUPAC1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C15H10ClNO3/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)20-15(17)19/h1-8H,9H2
InChIKeyFUUMQIGBAYVFIX-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.66
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione

1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione (PubChem CID 771877) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
PubChem CID771877
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C15H10ClNO3/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)20-15(17)19/h1-8H,9H2
InChIKeyFUUMQIGBAYVFIX-UHFFFAOYSA-N
XLogP2.66
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
1-[(4-iodophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 65489350
4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]benzonitrile
CID 58989817
1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione
CID 58989914
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
3-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]benzonitrile
CID 141139474
1-benzyl-3,1-benzoxazine-2,4-dione;4H-isochromene-1,3-dione
CID 158268978
1-[(4-fluorophenyl)methyl]-3,1-benzoxazine-2,4-dione;4H-isochromene-1,3-dione
CID 159366449
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide
CID 87500697
1-[3-(2,5-dichlorophenoxy)propyl]-3,1-benzoxazine-2,4-dione
CID 18802292

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione (CID 771877) is 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione?
The InChIKey is FUUMQIGBAYVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)20-15(17)19/h1-8H,9H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione?
1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione has a molecular weight of 287.70 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 771877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).