N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide

C23H18ClNO4 — CID 23471863

IUPACN-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(=O)c4cc(Cl)c(C)cc4oc3c2)cc1
InChIInChI=1S/C23H18ClNO4/c1-13-9-20-18(12-19(13)24)23(27)17-8-5-15(11-21(17)29-20)25-22(26)10-14-3-6-16(28-2)7-4-14/h3-9,11-12H,10H2,1-2H3,(H,25,26)
InChIKeyQNXAANWEUBDLLN-UHFFFAOYSA-N
MW407.85 g/mol
LogP5.10
Rot. Bonds4

About N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide

N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 23471863) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID23471863
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC NameN-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(=O)c4cc(Cl)c(C)cc4oc3c2)cc1
InChIInChI=1S/C23H18ClNO4/c1-13-9-20-18(12-19(13)24)23(27)17-8-5-15(11-21(17)29-20)25-22(26)10-14-3-6-16(28-2)7-4-14/h3-9,11-12H,10H2,1-2H3,(H,25,26)
InChIKeyQNXAANWEUBDLLN-UHFFFAOYSA-N
XLogP5.10
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.85
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 23471876
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23471868
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide
CID 23471848
[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 21001601
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
CID 7326619
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-methoxybenzoate
CID 7861892

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide (CID 23471863) is N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc3c(=O)c4cc(Cl)c(C)cc4oc3c2)cc1.
What is the InChIKey of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is QNXAANWEUBDLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c1-13-9-20-18(12-19(13)24)23(27)17-8-5-15(11-21(17)29-20)25-22(26)10-14-3-6-16(28-2)7-4-14/h3-9,11-12H,10H2,1-2H3,(H,25,26).
What are the key properties of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide?
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 407.85 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 23471863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).