(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

C20H15ClFNO4 — CID 16534278

IUPAC(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15ClFNO4/c1-12-4-5-13(9-17(12)23-19(24)18-3-2-8-26-18)20(25)27-11-14-6-7-15(22)10-16(14)21/h2-10H,11H2,1H3,(H,23,24)
InChIKeyQLAKAUGGXXWRLN-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.99
Rot. Bonds5

About (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 16534278) has the molecular formula C20H15ClFNO4 and a molecular weight of 387.79 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID16534278
Molecular FormulaC20H15ClFNO4
Molecular Weight387.79 g/mol
Exact Mass387.07
IUPAC Name(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15ClFNO4/c1-12-4-5-13(9-17(12)23-19(24)18-3-2-8-26-18)20(25)27-11-14-6-7-15(22)10-16(14)21/h2-10H,11H2,1H3,(H,23,24)
InChIKeyQLAKAUGGXXWRLN-UHFFFAOYSA-N
XLogP4.99
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534296
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
(2-nitrophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9318976
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605504
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319558

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 16534278) is (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is QLAKAUGGXXWRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO4/c1-12-4-5-13(9-17(12)23-19(24)18-3-2-8-26-18)20(25)27-11-14-6-7-15(22)10-16(14)21/h2-10H,11H2,1H3,(H,23,24).
What are the key properties of (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
(2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 387.79 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 16534278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).