N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide

C24H18FNO5 — CID 57126626

IUPACN-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide
SMILESCc1c(OCc2ccccc2)ccc2c(O)c(C(=O)N(F)c3ccccc3)c(=O)oc12
InChIInChI=1S/C24H18FNO5/c1-15-19(30-14-16-8-4-2-5-9-16)13-12-18-21(27)20(24(29)31-22(15)18)23(28)26(25)17-10-6-3-7-11-17/h2-13,27H,14H2,1H3
InChIKeyDMLGRTYNGIEOKB-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.92
Rot. Bonds5

About N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide

N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide (PubChem CID 57126626) has the molecular formula C24H18FNO5 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide
PubChem CID57126626
Molecular FormulaC24H18FNO5
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC NameN-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide
SMILESCc1c(OCc2ccccc2)ccc2c(O)c(C(=O)N(F)c3ccccc3)c(=O)oc12
InChIInChI=1S/C24H18FNO5/c1-15-19(30-14-16-8-4-2-5-9-16)13-12-18-21(27)20(24(29)31-22(15)18)23(28)26(25)17-10-6-3-7-11-17/h2-13,27H,14H2,1H3
InChIKeyDMLGRTYNGIEOKB-UHFFFAOYSA-N
XLogP4.92
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4,8-dimethyl-2-oxo-7-phenylmethoxychromen-3-yl)amino]acetate
CID 102381033
3-[4,8-dimethyl-2-oxo-7-[(4-phenylphenyl)methoxy]chromen-3-yl]propanoic acid
CID 71462562
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
8-methyl-3-(2-methylphenyl)-7-phenylmethoxy-2-(trifluoromethyl)chromen-4-one
CID 2064053
2-[4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2-oxochromen-3-yl]acetate
CID 7083931
5-methyl-4-[(4-methyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylate
CID 7001864
benzyl 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 974991
3-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxymethyl]benzoic acid
CID 20987024
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
4,8-dimethyl-7-[(3-methylphenyl)methoxy]-3-(2-oxopropyl)chromen-2-one
CID 163639139
4-methyl-7-phenylmethoxy-8-propanoylchromen-2-one
CID 904800
4-methyl-3-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzo[c]chromen-6-one
CID 2277386

Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide?
The IUPAC name of N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide (CID 57126626) is N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide.
What is the SMILES notation for N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide?
The canonical SMILES for N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide is Cc1c(OCc2ccccc2)ccc2c(O)c(C(=O)N(F)c3ccccc3)c(=O)oc12.
What is the InChIKey of N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide?
The InChIKey is DMLGRTYNGIEOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO5/c1-15-19(30-14-16-8-4-2-5-9-16)13-12-18-21(27)20(24(29)31-22(15)18)23(28)26(25)17-10-6-3-7-11-17/h2-13,27H,14H2,1H3.
What are the key properties of N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide?
N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-hydroxy-8-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide is sourced from PubChem (CID 57126626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).