methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate

C20H16FN3O3 — CID 109177220

IUPACmethyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(C(=O)Nc3ccccc3F)ccn2)cc1
InChIInChI=1S/C20H16FN3O3/c1-27-20(26)13-6-8-15(9-7-13)23-18-12-14(10-11-22-18)19(25)24-17-5-3-2-4-16(17)21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyQFUGXFYLFMRIQW-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.00
Rot. Bonds5

About methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate

methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109177220) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109177220
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Namemethyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(C(=O)Nc3ccccc3F)ccn2)cc1
InChIInChI=1S/C20H16FN3O3/c1-27-20(26)13-6-8-15(9-7-13)23-18-12-14(10-11-22-18)19(25)24-17-5-3-2-4-16(17)21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyQFUGXFYLFMRIQW-UHFFFAOYSA-N
XLogP4.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]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

methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109177046
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109092619
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178658
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176912
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
methyl 2-(3-bromo-4-fluoroanilino)pyridine-4-carboxylate
CID 114075085
2-(4-acetylanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178114
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177376
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109177220) is methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2cc(C(=O)Nc3ccccc3F)ccn2)cc1.
What is the InChIKey of methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is QFUGXFYLFMRIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-27-20(26)13-6-8-15(9-7-13)23-18-12-14(10-11-22-18)19(25)24-17-5-3-2-4-16(17)21/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 365.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109177220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).