methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate

C20H15ClFN3O3 — CID 109164660

IUPACmethyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)Nc3cccc(F)c3)cn2)c1
InChIInChI=1S/C20H15ClFN3O3/c1-28-20(27)12-5-7-16(21)17(9-12)25-18-8-6-13(11-23-18)19(26)24-15-4-2-3-14(22)10-15/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyVLJKQXJNCBFRLB-UHFFFAOYSA-N
MW399.81 g/mol
LogP4.66
Rot. Bonds5

About methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate

methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109164660) has the molecular formula C20H15ClFN3O3 and a molecular weight of 399.81 g/mol. Its IUPAC name is methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109164660
Molecular FormulaC20H15ClFN3O3
Molecular Weight399.81 g/mol
Exact Mass399.08
IUPAC Namemethyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)Nc3cccc(F)c3)cn2)c1
InChIInChI=1S/C20H15ClFN3O3/c1-28-20(27)12-5-7-16(21)17(9-12)25-18-8-6-13(11-23-18)19(26)24-15-4-2-3-14(22)10-15/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyVLJKQXJNCBFRLB-UHFFFAOYSA-N
XLogP4.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109245987
methyl 4-chloro-3-[[2-[(3-fluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222323
N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109164774
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
methyl 4-chloro-3-[[6-[(3-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109126986
methyl 3-[[6-(4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162269
methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163419
N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109163462
methyl 4-chloro-3-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143912
methyl 4-chloro-3-[[5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109157989
methyl 3-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109164633

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109164660) is methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate is COC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)Nc3cccc(F)c3)cn2)c1.
What is the InChIKey of methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is VLJKQXJNCBFRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3/c1-28-20(27)12-5-7-16(21)17(9-12)25-18-8-6-13(11-23-18)19(26)24-15-4-2-3-14(22)10-15/h2-11H,1H3,(H,23,25)(H,24,26).
What are the key properties of methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 399.81 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[5-[(3-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109164660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).