2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide

C23H18FN3O4 — CID 86881850

IUPAC2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C23H18FN3O4/c1-13-6-5-8-16(20(13)26-21(28)15-7-3-4-9-17(15)24)22(29)25-14-10-11-19-18(12-14)27(2)23(30)31-19/h3-12H,1-2H3,(H,25,29)(H,26,28)
InChIKeyJQORTLZXGIPWPA-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.08
Rot. Bonds4

About 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide

2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide (PubChem CID 86881850) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
PubChem CID86881850
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Name2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C23H18FN3O4/c1-13-6-5-8-16(20(13)26-21(28)15-7-3-4-9-17(15)24)22(29)25-14-10-11-19-18(12-14)27(2)23(30)31-19/h3-12H,1-2H3,(H,25,29)(H,26,28)
InChIKeyJQORTLZXGIPWPA-UHFFFAOYSA-N
XLogP4.08
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 154833789
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 71879473
5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 110607972
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide
CID 110608030
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568712

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide (CID 86881850) is 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide is Cc1cccc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)c1NC(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is JQORTLZXGIPWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-13-6-5-8-16(20(13)26-21(28)15-7-3-4-9-17(15)24)22(29)25-14-10-11-19-18(12-14)27(2)23(30)31-19/h3-12H,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide?
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 419.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 86881850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).