[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate

C25H20FNO4 — CID 11502583

IUPAC[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
SMILESCC1(COC(=O)c2ccccc2)C=Cc2cc(NC(=O)c3ccccc3F)ccc2O1
InChIInChI=1S/C25H20FNO4/c1-25(16-30-24(29)17-7-3-2-4-8-17)14-13-18-15-19(11-12-22(18)31-25)27-23(28)20-9-5-6-10-21(20)26/h2-15H,16H2,1H3,(H,27,28)
InChIKeyYIMQHSSBPYGFQW-UHFFFAOYSA-N
MW417.44 g/mol
LogP5.10
Rot. Bonds5

About [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate

[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate (PubChem CID 11502583) has the molecular formula C25H20FNO4 and a molecular weight of 417.44 g/mol. Its IUPAC name is [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate.

Molecular Properties

Compound Name[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
PubChem CID11502583
Molecular FormulaC25H20FNO4
Molecular Weight417.44 g/mol
Exact Mass417.14
IUPAC Name[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
SMILESCC1(COC(=O)c2ccccc2)C=Cc2cc(NC(=O)c3ccccc3F)ccc2O1
InChIInChI=1S/C25H20FNO4/c1-25(16-30-24(29)17-7-3-2-4-8-17)14-13-18-15-19(11-12-22(18)31-25)27-23(28)20-9-5-6-10-21(20)26/h2-15H,16H2,1H3,(H,27,28)
InChIKeyYIMQHSSBPYGFQW-UHFFFAOYSA-N
XLogP5.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11539216
(6-amino-2-methylchromen-2-yl)methyl benzoate
CID 11666500
1-(4-fluorophenyl)-3-[2-methyl-2-(phenylmethoxymethyl)chromen-6-yl]urea
CID 46182207
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
[2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate
CID 11559930
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] benzoate
CID 7868398
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
CID 847946
N-[1'-(2-methylpropyl)spiro[chromene-2,4'-piperidine]-6-yl]benzamide
CID 25212194
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide
CID 39184440

Frequently Asked Questions

What is the IUPAC name of [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate?
The IUPAC name of [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate (CID 11502583) is [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate.
What is the SMILES notation for [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate?
The canonical SMILES for [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate is CC1(COC(=O)c2ccccc2)C=Cc2cc(NC(=O)c3ccccc3F)ccc2O1.
What is the InChIKey of [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate?
The InChIKey is YIMQHSSBPYGFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4/c1-25(16-30-24(29)17-7-3-2-4-8-17)14-13-18-15-19(11-12-22(18)31-25)27-23(28)20-9-5-6-10-21(20)26/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate?
[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate has a molecular weight of 417.44 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate is sourced from PubChem (CID 11502583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).