N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C24H17F2NO4 — CID 26894946

IUPACN-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3OC(F)F)cccc2c1=O
InChIInChI=1S/C24H17F2NO4/c1-14-20(28)16-10-7-11-17(22(16)31-21(14)15-8-3-2-4-9-15)23(29)27-18-12-5-6-13-19(18)30-24(25)26/h2-13,24H,1H3,(H,27,29)
InChIKeyQVMADDLJRPDYQD-UHFFFAOYSA-N
MW421.40 g/mol
LogP5.62
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 26894946) has the molecular formula C24H17F2NO4 and a molecular weight of 421.40 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID26894946
Molecular FormulaC24H17F2NO4
Molecular Weight421.40 g/mol
Exact Mass421.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3OC(F)F)cccc2c1=O
InChIInChI=1S/C24H17F2NO4/c1-14-20(28)16-10-7-11-17(22(16)31-21(14)15-8-3-2-4-9-15)23(29)27-18-12-5-6-13-19(18)30-24(25)26/h2-13,24H,1H3,(H,27,29)
InChIKeyQVMADDLJRPDYQD-UHFFFAOYSA-N
XLogP5.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.40
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 9097604
methyl 3-methyl-4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]benzoate
CID 36930589
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
3-methyl-N-(3-methyl-2-pyridinyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 42537286
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 43009458
3-methyl-4-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)chromene-8-carboxamide
CID 71701538
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 52706882
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8701875
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46553863
3-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 78890315

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 26894946) is N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3OC(F)F)cccc2c1=O.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is QVMADDLJRPDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO4/c1-14-20(28)16-10-7-11-17(22(16)31-21(14)15-8-3-2-4-9-15)23(29)27-18-12-5-6-13-19(18)30-24(25)26/h2-13,24H,1H3,(H,27,29).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 421.40 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 26894946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).