N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide

C25H20FNO4 — CID 155387963

IUPACN-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide
SMILESCc1oc2c(C(=O)Nc3ccccc3F)c(OCc3ccccc3)ccc2c(=O)c1C
InChIInChI=1S/C25H20FNO4/c1-15-16(2)31-24-18(23(15)28)12-13-21(30-14-17-8-4-3-5-9-17)22(24)25(29)27-20-11-7-6-10-19(20)26/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeySJOHDUOPMWSQHL-UHFFFAOYSA-N
MW417.44 g/mol
LogP5.38
Rot. Bonds5

About N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide

N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide (PubChem CID 155387963) has the molecular formula C25H20FNO4 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide
PubChem CID155387963
Molecular FormulaC25H20FNO4
Molecular Weight417.44 g/mol
Exact Mass417.14
IUPAC NameN-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide
SMILESCc1oc2c(C(=O)Nc3ccccc3F)c(OCc3ccccc3)ccc2c(=O)c1C
InChIInChI=1S/C25H20FNO4/c1-15-16(2)31-24-18(23(15)28)12-13-21(30-14-17-8-4-3-5-9-17)22(24)25(29)27-20-11-7-6-10-19(20)26/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeySJOHDUOPMWSQHL-UHFFFAOYSA-N
XLogP5.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide
CID 155387975
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
4-methyl-7-phenylmethoxy-8-propanoylchromen-2-one
CID 904800
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 15605179
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide
CID 14128614
N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide
CID 57126626
N-(2-fluoro-5-methylphenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9455251
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 32889747
2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide (CID 155387963) is N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide is Cc1oc2c(C(=O)Nc3ccccc3F)c(OCc3ccccc3)ccc2c(=O)c1C.
What is the InChIKey of N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide?
The InChIKey is SJOHDUOPMWSQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4/c1-15-16(2)31-24-18(23(15)28)12-13-21(30-14-17-8-4-3-5-9-17)22(24)25(29)27-20-11-7-6-10-19(20)26/h3-13H,14H2,1-2H3,(H,27,29).
What are the key properties of N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide?
N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide is sourced from PubChem (CID 155387963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).