N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide

C20H15ClN2O4 — CID 633348

IUPACN-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(C)cc(=O)oc2c2c(Nc3ccc(Cl)cc3)coc12
InChIInChI=1S/C20H15ClN2O4/c1-10-7-17(25)27-19-14(10)8-15(22-11(2)24)20-18(19)16(9-26-20)23-13-5-3-12(21)4-6-13/h3-9,23H,1-2H3,(H,22,24)
InChIKeyLLSGEXRGGGSGPJ-UHFFFAOYSA-N
MW382.80 g/mol
LogP5.20
Rot. Bonds3

About N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide

N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide (PubChem CID 633348) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide.

Molecular Properties

Compound NameN-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide
PubChem CID633348
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC NameN-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(C)cc(=O)oc2c2c(Nc3ccc(Cl)cc3)coc12
InChIInChI=1S/C20H15ClN2O4/c1-10-7-17(25)27-19-14(10)8-15(22-11(2)24)20-18(19)16(9-26-20)23-13-5-3-12(21)4-6-13/h3-9,23H,1-2H3,(H,22,24)
InChIKeyLLSGEXRGGGSGPJ-UHFFFAOYSA-N
XLogP5.20
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.80
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one
CID 102406727
4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one
CID 631083
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
(8-acetyl-4-methyl-2-oxochromen-7-yl) 4-chlorobenzoate
CID 1185325
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
(2R)-N-(2,5-dichlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967861
N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide
CID 34067725
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide
CID 71236809
4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
CID 110734310
N-(4-methyl-2-oxofuro[2,3-h]chromen-6-yl)formamide
CID 618277
2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
CID 91296883

Frequently Asked Questions

What is the IUPAC name of N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide?
The IUPAC name of N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide (CID 633348) is N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide.
What is the SMILES notation for N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide?
The canonical SMILES for N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide is CC(=O)Nc1cc2c(C)cc(=O)oc2c2c(Nc3ccc(Cl)cc3)coc12.
What is the InChIKey of N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide?
The InChIKey is LLSGEXRGGGSGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c1-10-7-17(25)27-19-14(10)8-15(22-11(2)24)20-18(19)16(9-26-20)23-13-5-3-12(21)4-6-13/h3-9,23H,1-2H3,(H,22,24).
What are the key properties of N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide?
N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide has a molecular weight of 382.80 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide is sourced from PubChem (CID 633348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).