4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide

C23H18FN3O5 — CID 86887242

IUPAC4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C23H18FN3O5/c1-27-19-10-6-15(12-20(19)32-23(27)30)25-22(29)17-9-5-14(24)11-18(17)26-21(28)13-3-7-16(31-2)8-4-13/h3-12H,1-2H3,(H,25,29)(H,26,28)
InChIKeyCGUQADMJNWKEOJ-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.78
Rot. Bonds5

About 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide

4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide (PubChem CID 86887242) has the molecular formula C23H18FN3O5 and a molecular weight of 435.41 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
PubChem CID86887242
Molecular FormulaC23H18FN3O5
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC Name4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C23H18FN3O5/c1-27-19-10-6-15(12-20(19)32-23(27)30)25-22(29)17-9-5-14(24)11-18(17)26-21(28)13-3-7-16(31-2)8-4-13/h3-12H,1-2H3,(H,25,29)(H,26,28)
InChIKeyCGUQADMJNWKEOJ-UHFFFAOYSA-N
XLogP3.78
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766578
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 71879473
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766573
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 11798169

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The IUPAC name of 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide (CID 86887242) is 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The canonical SMILES for 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide is COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The InChIKey is CGUQADMJNWKEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O5/c1-27-19-10-6-15(12-20(19)32-23(27)30)25-22(29)17-9-5-14(24)11-18(17)26-21(28)13-3-7-16(31-2)8-4-13/h3-12H,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide has a molecular weight of 435.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide is sourced from PubChem (CID 86887242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).