2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate

C24H22FNO4 — CID 7870307

IUPAC2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCCOc1ccc(F)cc1
InChIInChI=1S/C24H22FNO4/c1-26(17-18-7-3-2-4-8-18)23(27)21-9-5-6-10-22(21)24(28)30-16-15-29-20-13-11-19(25)12-14-20/h2-14H,15-17H2,1H3
InChIKeyJODIBHWILUAIJN-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.33
Rot. Bonds8

About 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate

2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate (PubChem CID 7870307) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate
PubChem CID7870307
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCCOc1ccc(F)cc1
InChIInChI=1S/C24H22FNO4/c1-26(17-18-7-3-2-4-8-18)23(27)21-9-5-6-10-22(21)24(28)30-16-15-29-20-13-11-19(25)12-14-20/h2-14H,15-17H2,1H3
InChIKeyJODIBHWILUAIJN-UHFFFAOYSA-N
XLogP4.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)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

1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 35745385
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55555108
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505379
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 46790237
(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 8952093
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate (CID 7870307) is 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate is CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate?
The InChIKey is JODIBHWILUAIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO4/c1-26(17-18-7-3-2-4-8-18)23(27)21-9-5-6-10-22(21)24(28)30-16-15-29-20-13-11-19(25)12-14-20/h2-14H,15-17H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate?
2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate has a molecular weight of 407.44 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate is sourced from PubChem (CID 7870307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).