2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide

C18H14F3NO3 — CID 160622658

IUPAC2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide
SMILESCC1Oc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2CC1=O
InChIInChI=1S/C18H14F3NO3/c1-9-16(23)5-11-4-10(2-3-17(11)25-9)18(24)22-8-13-14(20)6-12(19)7-15(13)21/h2-4,6-7,9H,5,8H2,1H3,(H,22,24)
InChIKeyMQMMLQRMZMROTP-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.93
Rot. Bonds3

About 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide

2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide (PubChem CID 160622658) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide
PubChem CID160622658
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Name2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide
SMILESCC1Oc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2CC1=O
InChIInChI=1S/C18H14F3NO3/c1-9-16(23)5-11-4-10(2-3-17(11)25-9)18(24)22-8-13-14(20)6-12(19)7-15(13)21/h2-4,6-7,9H,5,8H2,1H3,(H,22,24)
InChIKeyMQMMLQRMZMROTP-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide (CID 160622658) is 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide is CC1Oc2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc2CC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide?
The InChIKey is MQMMLQRMZMROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c1-9-16(23)5-11-4-10(2-3-17(11)25-9)18(24)22-8-13-14(20)6-12(19)7-15(13)21/h2-4,6-7,9H,5,8H2,1H3,(H,22,24).
What are the key properties of 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide?
2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-chromene-6-carboxamide is sourced from PubChem (CID 160622658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).