N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide

C19H15BrClNO3 — CID 118720036

IUPACN-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide
SMILESCC(=O)Nc1c(CCc2ccccc2)oc2c(Br)cc(Cl)cc2c1=O
InChIInChI=1S/C19H15BrClNO3/c1-11(23)22-17-16(8-7-12-5-3-2-4-6-12)25-19-14(18(17)24)9-13(21)10-15(19)20/h2-6,9-10H,7-8H2,1H3,(H,22,23)
InChIKeyORPJTTYDGIUYCH-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.95
Rot. Bonds4

About N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide

N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide (PubChem CID 118720036) has the molecular formula C19H15BrClNO3 and a molecular weight of 420.69 g/mol. Its IUPAC name is N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide.

Molecular Properties

Compound NameN-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide
PubChem CID118720036
Molecular FormulaC19H15BrClNO3
Molecular Weight420.69 g/mol
Exact Mass418.99
IUPAC NameN-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide
SMILESCC(=O)Nc1c(CCc2ccccc2)oc2c(Br)cc(Cl)cc2c1=O
InChIInChI=1S/C19H15BrClNO3/c1-11(23)22-17-16(8-7-12-5-3-2-4-6-12)25-19-14(18(17)24)9-13(21)10-15(19)20/h2-6,9-10H,7-8H2,1H3,(H,22,23)
InChIKeyORPJTTYDGIUYCH-UHFFFAOYSA-N
XLogP4.95
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide?
The IUPAC name of N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide (CID 118720036) is N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide.
What is the SMILES notation for N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide?
The canonical SMILES for N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide is CC(=O)Nc1c(CCc2ccccc2)oc2c(Br)cc(Cl)cc2c1=O.
What is the InChIKey of N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide?
The InChIKey is ORPJTTYDGIUYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO3/c1-11(23)22-17-16(8-7-12-5-3-2-4-6-12)25-19-14(18(17)24)9-13(21)10-15(19)20/h2-6,9-10H,7-8H2,1H3,(H,22,23).
What are the key properties of N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide?
N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide has a molecular weight of 420.69 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-bromo-6-chloro-4-oxo-2-(2-phenylethyl)chromen-3-yl]acetamide is sourced from PubChem (CID 118720036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).