2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C22H19F3N2O3 — CID 2507646

IUPAC2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C22H19F3N2O3/c1-27(11-19(28)26-17-6-5-16(23)21(24)22(17)25)10-14-9-20(29)30-18-8-13-4-2-3-12(13)7-15(14)18/h5-9H,2-4,10-11H2,1H3,(H,26,28)
InChIKeyYVBJWPJWLONKOM-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.77
Rot. Bonds5

About 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2507646) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2507646
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC Name2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C22H19F3N2O3/c1-27(11-19(28)26-17-6-5-16(23)21(24)22(17)25)10-14-9-20(29)30-18-8-13-4-2-3-12(13)7-15(14)18/h5-9H,2-4,10-11H2,1H3,(H,26,28)
InChIKeyYVBJWPJWLONKOM-UHFFFAOYSA-N
XLogP3.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide
CID 78825945
4-[[2-hydroxyethyl(methyl)amino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 7205086
N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide
CID 55354601
2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201171
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9348567
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9252835
N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9303635
2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
2-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55351320

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2507646) is 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)oc2cc3c(cc12)CCC3.
What is the InChIKey of 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is YVBJWPJWLONKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-27(11-19(28)26-17-6-5-16(23)21(24)22(17)25)10-14-9-20(29)30-18-8-13-4-2-3-12(13)7-15(14)18/h5-9H,2-4,10-11H2,1H3,(H,26,28).
What are the key properties of 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 416.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2507646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).