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

C23H18ClNO4 — CID 23471868

IUPACN-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(=O)c4cc(Cl)c(C)cc4oc3c2)c1
InChIInChI=1S/C23H18ClNO4/c1-13-4-3-5-16(8-13)28-12-22(26)25-15-6-7-17-21(10-15)29-20-9-14(2)19(24)11-18(20)23(17)27/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyUXICCQPPESFGFV-UHFFFAOYSA-N
MW407.85 g/mol
LogP5.23
Rot. Bonds4

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

N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 23471868) 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-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
PubChem CID23471868
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC NameN-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(=O)c4cc(Cl)c(C)cc4oc3c2)c1
InChIInChI=1S/C23H18ClNO4/c1-13-4-3-5-16(8-13)28-12-22(26)25-15-6-7-17-21(10-15)29-20-9-14(2)19(24)11-18(20)23(17)27/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyUXICCQPPESFGFV-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
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-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide
CID 23471863
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 38236114
2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
CID 23472212
4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide
CID 23471848
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
CID 23472134
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide (CID 23471868) is N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(=O)c4cc(Cl)c(C)cc4oc3c2)c1.
What is the InChIKey of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is UXICCQPPESFGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c1-13-4-3-5-16(8-13)28-12-22(26)25-15-6-7-17-21(10-15)29-20-9-14(2)19(24)11-18(20)23(17)27/h3-11H,12H2,1-2H3,(H,25,26).
What are the key properties of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide?
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 407.85 g/mol, XLogP of 5.23, 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 23471868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).