N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide

C18H17NO4 — CID 2242400

IUPACN-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide
SMILESCC1(C)CC(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc2C1
InChIInChI=1S/C18H17NO4/c1-18(2)9-14(20)12-8-13(17(22)23-15(12)10-18)19-16(21)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyFKKXTRANJLQERZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.05
Rot. Bonds2

About N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide

N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide (PubChem CID 2242400) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide
PubChem CID2242400
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide
SMILESCC1(C)CC(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc2C1
InChIInChI=1S/C18H17NO4/c1-18(2)9-14(20)12-8-13(17(22)23-15(12)10-18)19-16(21)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,19,21)
InChIKeyFKKXTRANJLQERZ-UHFFFAOYSA-N
XLogP3.05
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide?
The IUPAC name of N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide (CID 2242400) is N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide.
What is the SMILES notation for N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide?
The canonical SMILES for N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide is CC1(C)CC(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc2C1.
What is the InChIKey of N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide?
The InChIKey is FKKXTRANJLQERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-18(2)9-14(20)12-8-13(17(22)23-15(12)10-18)19-16(21)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide?
N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2,5-dioxo-6,8-dihydrochromen-3-yl)benzamide is sourced from PubChem (CID 2242400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).