(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate

C20H16FNO5 — CID 9139699

IUPAC(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCOc1ccc(F)cc1COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C20H16FNO5/c1-25-17-9-8-14(21)11-13(17)12-27-20(24)15-5-2-3-6-16(15)22-19(23)18-7-4-10-26-18/h2-11H,12H2,1H3,(H,22,23)
InChIKeyZSHUYMVGLVAPJI-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.04
Rot. Bonds6

About (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate

(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate (PubChem CID 9139699) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate
PubChem CID9139699
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCOc1ccc(F)cc1COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C20H16FNO5/c1-25-17-9-8-14(21)11-13(17)12-27-20(24)15-5-2-3-6-16(15)22-19(23)18-7-4-10-26-18/h2-11H,12H2,1H3,(H,22,23)
InChIKeyZSHUYMVGLVAPJI-UHFFFAOYSA-N
XLogP4.04
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromo-4-fluorophenyl)methyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16597412
2-(2-fluorophenoxy)ethyl 2-(furan-2-carbonylamino)benzoate
CID 9139702
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2632058
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 7841115
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534278
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate (CID 9139699) is (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate is COc1ccc(F)cc1COC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate?
The InChIKey is ZSHUYMVGLVAPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO5/c1-25-17-9-8-14(21)11-13(17)12-27-20(24)15-5-2-3-6-16(15)22-19(23)18-7-4-10-26-18/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate?
(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate has a molecular weight of 369.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 9139699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).