(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate

C23H20FNO4 — CID 7738777

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCOc1ccc(COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1F
InChIInChI=1S/C23H20FNO4/c1-25(17-8-4-3-5-9-17)22(26)18-10-6-7-11-19(18)23(27)29-15-16-12-13-21(28-2)20(24)14-16/h3-14H,15H2,1-2H3
InChIKeyBTXYIIMFOVFQDV-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.47
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate

(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 7738777) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID7738777
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCOc1ccc(COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1F
InChIInChI=1S/C23H20FNO4/c1-25(17-8-4-3-5-9-17)22(26)18-10-6-7-11-19(18)23(27)29-15-16-12-13-21(28-2)20(24)14-16/h3-14H,15H2,1-2H3
InChIKeyBTXYIIMFOVFQDV-UHFFFAOYSA-N
XLogP4.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
CID 7785264
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 26962039
[3-(trifluoromethyl)phenyl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510899
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
(3-fluoro-4-methoxyphenyl)methyl 2-amino-4-chlorobenzoate
CID 60643048
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984
(3-fluoro-4-methoxyphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate
CID 7832652
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913575
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate (CID 7738777) is (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate is COc1ccc(COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is BTXYIIMFOVFQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-25(17-8-4-3-5-9-17)22(26)18-10-6-7-11-19(18)23(27)29-15-16-12-13-21(28-2)20(24)14-16/h3-14H,15H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate?
(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 393.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 7738777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).