N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide

C24H23FN2O4 — CID 8744099

IUPACN-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O4/c1-15-4-8-20(12-16(15)2)27-24(29)17-5-11-21(22(13-17)30-3)31-14-23(28)26-19-9-6-18(25)7-10-19/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyLKMAJUIGDZVDRV-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.72
Rot. Bonds7

About N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide

N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide (PubChem CID 8744099) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
PubChem CID8744099
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC NameN-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O4/c1-15-4-8-20(12-16(15)2)27-24(29)17-5-11-21(22(13-17)30-3)31-14-23(28)26-19-9-6-18(25)7-10-19/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyLKMAJUIGDZVDRV-UHFFFAOYSA-N
XLogP4.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 4798518
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16552543
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126267734
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
[2-(4-chloroanilino)-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25439557
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 8839619
N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-methylbenzamide
CID 17252265

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide (CID 8744099) is N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
The InChIKey is LKMAJUIGDZVDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-15-4-8-20(12-16(15)2)27-24(29)17-5-11-21(22(13-17)30-3)31-14-23(28)26-19-9-6-18(25)7-10-19/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide has a molecular weight of 422.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide is sourced from PubChem (CID 8744099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).