(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate

C22H18FNO4 — CID 2224729

IUPAC(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C22H18FNO4/c1-27-20-11-7-16(8-12-20)21(25)24-19-9-5-17(6-10-19)22(26)28-14-15-3-2-4-18(23)13-15/h2-13H,14H2,1H3,(H,24,25)
InChIKeyFMCQPZFXHALYLO-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.44
Rot. Bonds6

About (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate

(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 2224729) has the molecular formula C22H18FNO4 and a molecular weight of 379.39 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
PubChem CID2224729
Molecular FormulaC22H18FNO4
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC Name(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C22H18FNO4/c1-27-20-11-7-16(8-12-20)21(25)24-19-9-5-17(6-10-19)22(26)28-14-15-3-2-4-18(23)13-15/h2-13H,14H2,1H3,(H,24,25)
InChIKeyFMCQPZFXHALYLO-UHFFFAOYSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538887
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
(3-fluorophenyl)methyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8961817
(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate
CID 1305098
1-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671064
(3-fluorophenyl)methyl 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 18229658
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate (CID 2224729) is (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(F)c3)cc2)cc1.
What is the InChIKey of (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is FMCQPZFXHALYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO4/c1-27-20-11-7-16(8-12-20)21(25)24-19-9-5-17(6-10-19)22(26)28-14-15-3-2-4-18(23)13-15/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate?
(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 379.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 2224729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).