3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide

C23H21FN2O4 — CID 86886668

IUPAC3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide
SMILESCc1cc(OCc2cccc(F)c2)ccc1NC(=O)COc1cccc(C(N)=O)c1
InChIInChI=1S/C23H21FN2O4/c1-15-10-20(29-13-16-4-2-6-18(24)11-16)8-9-21(15)26-22(27)14-30-19-7-3-5-17(12-19)23(25)28/h2-12H,13-14H2,1H3,(H2,25,28)(H,26,27)
InChIKeyHNEDCJNIYXKOIO-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.83
Rot. Bonds8

About 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide

3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide (PubChem CID 86886668) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide
PubChem CID86886668
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide
SMILESCc1cc(OCc2cccc(F)c2)ccc1NC(=O)COc1cccc(C(N)=O)c1
InChIInChI=1S/C23H21FN2O4/c1-15-10-20(29-13-16-4-2-6-18(24)11-16)8-9-21(15)26-22(27)14-30-19-7-3-5-17(12-19)23(25)28/h2-12H,13-14H2,1H3,(H2,25,28)(H,26,27)
InChIKeyHNEDCJNIYXKOIO-UHFFFAOYSA-N
XLogP3.83
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855
2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2454873
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240038
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide
CID 7834460
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630833
4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49340250
3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
CID 55947735
(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538887

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide (CID 86886668) is 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide is Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)COc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide?
The InChIKey is HNEDCJNIYXKOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-15-10-20(29-13-16-4-2-6-18(24)11-16)8-9-21(15)26-22(27)14-30-19-7-3-5-17(12-19)23(25)28/h2-12H,13-14H2,1H3,(H2,25,28)(H,26,27).
What are the key properties of 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide?
3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide has a molecular weight of 408.43 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 86886668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).