3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide

C23H21FN2O4 — CID 46323189

IUPAC3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C)c(F)c3)ccc2OC)cc1
InChIInChI=1S/C23H21FN2O4/c1-14-4-5-16(12-19(14)24)23(28)25-17-8-11-21(30-3)20(13-17)26-22(27)15-6-9-18(29-2)10-7-15/h4-13H,1-3H3,(H,25,28)(H,26,27)
InChIKeyUUOKPAVXTGRWLG-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.66
Rot. Bonds6

About 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide

3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide (PubChem CID 46323189) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
PubChem CID46323189
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C)c(F)c3)ccc2OC)cc1
InChIInChI=1S/C23H21FN2O4/c1-14-4-5-16(12-19(14)24)23(28)25-17-8-11-21(30-3)20(13-17)26-22(27)15-6-9-18(29-2)10-7-15/h4-13H,1-3H3,(H,25,28)(H,26,27)
InChIKeyUUOKPAVXTGRWLG-UHFFFAOYSA-N
XLogP4.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
4-methoxy-N-[2-methoxy-5-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46323188
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 7778576
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide (CID 46323189) is 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide is COc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C)c(F)c3)ccc2OC)cc1.
What is the InChIKey of 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide?
The InChIKey is UUOKPAVXTGRWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-14-4-5-16(12-19(14)24)23(28)25-17-8-11-21(30-3)20(13-17)26-22(27)15-6-9-18(29-2)10-7-15/h4-13H,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide?
3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide has a molecular weight of 408.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide is sourced from PubChem (CID 46323189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).