N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C24H18FNO3 — CID 9097604

IUPACN-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C24H18FNO3/c1-14-11-12-17(25)13-20(14)26-24(28)19-10-6-9-18-21(27)15(2)22(29-23(18)19)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,26,28)
InChIKeyDHDOWBFIHCMJGU-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.47
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 9097604) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID9097604
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C24H18FNO3/c1-14-11-12-17(25)13-20(14)26-24(28)19-10-6-9-18-21(27)15(2)22(29-23(18)19)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,26,28)
InChIKeyDHDOWBFIHCMJGU-UHFFFAOYSA-N
XLogP5.47
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 26894946
methyl 3-methyl-4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]benzoate
CID 36930589
3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 167935390
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
N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8884598
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8701875
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505446
N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46553863
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 42125425
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 9097604) is N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is Cc1ccc(F)cc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is DHDOWBFIHCMJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c1-14-11-12-17(25)13-20(14)26-24(28)19-10-6-9-18-21(27)15(2)22(29-23(18)19)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,26,28).
What are the key properties of N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 9097604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).