methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate

C21H17FN2O3 — CID 174549334

IUPACmethyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C)cc1NC(=O)c1ccncc1F
InChIInChI=1S/C21H17FN2O3/c1-13-10-19(24-20(25)15-8-9-23-12-18(15)22)17(21(26)27-2)11-16(13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,24,25)
InChIKeyZYQWEXCPOILRPK-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.24
Rot. Bonds4

About methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate

methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate (PubChem CID 174549334) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate
PubChem CID174549334
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Namemethyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C)cc1NC(=O)c1ccncc1F
InChIInChI=1S/C21H17FN2O3/c1-13-10-19(24-20(25)15-8-9-23-12-18(15)22)17(21(26)27-2)11-16(13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,24,25)
InChIKeyZYQWEXCPOILRPK-UHFFFAOYSA-N
XLogP4.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate?
The IUPAC name of methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate (CID 174549334) is methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate.
What is the SMILES notation for methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate?
The canonical SMILES for methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate is COC(=O)c1cc(-c2ccccc2)c(C)cc1NC(=O)c1ccncc1F.
What is the InChIKey of methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate?
The InChIKey is ZYQWEXCPOILRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-13-10-19(24-20(25)15-8-9-23-12-18(15)22)17(21(26)27-2)11-16(13)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,24,25).
What are the key properties of methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate?
methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate has a molecular weight of 364.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-4-methyl-5-phenylbenzoate is sourced from PubChem (CID 174549334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).