N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

C23H15ClF3NO4 — CID 2389301

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCc1c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C23H15ClF3NO4/c1-12-19(9-7-15-14-4-2-3-5-16(14)22(30)32-21(12)15)31-11-20(29)28-13-6-8-18(24)17(10-13)23(25,26)27/h2-10H,11H2,1H3,(H,28,29)
InChIKeyGKPTZDHNKYVNCD-UHFFFAOYSA-N
MW461.82 g/mol
LogP5.94
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (PubChem CID 2389301) has the molecular formula C23H15ClF3NO4 and a molecular weight of 461.82 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
PubChem CID2389301
Molecular FormulaC23H15ClF3NO4
Molecular Weight461.82 g/mol
Exact Mass461.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCc1c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C23H15ClF3NO4/c1-12-19(9-7-15-14-4-2-3-5-16(14)22(30)32-21(12)15)31-11-20(29)28-13-6-8-18(24)17(10-13)23(25,26)27/h2-10H,11H2,1H3,(H,28,29)
InChIKeyGKPTZDHNKYVNCD-UHFFFAOYSA-N
XLogP5.94
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.82
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 2058795
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188923
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6237690
(2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
CID 6851445
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 51049320
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388488
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylbenzoate
CID 7718016
N-(2,6-dimethylphenyl)-2-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1305633

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (CID 2389301) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is Cc1c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc2c1oc(=O)c1ccccc12.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The InChIKey is GKPTZDHNKYVNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3NO4/c1-12-19(9-7-15-14-4-2-3-5-16(14)22(30)32-21(12)15)31-11-20(29)28-13-6-8-18(24)17(10-13)23(25,26)27/h2-10H,11H2,1H3,(H,28,29).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide has a molecular weight of 461.82 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is sourced from PubChem (CID 2389301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).