2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

C19H22FN3O3 — CID 26528432

IUPAC2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccc(F)cc1C
InChIInChI=1S/C19H22FN3O3/c1-12-4-7-17(26-3)16(8-12)23-19(25)11-22-18(24)10-21-15-6-5-14(20)9-13(15)2/h4-9,21H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPGWBUKDJPSRCJH-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.62
Rot. Bonds7

About 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (PubChem CID 26528432) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
PubChem CID26528432
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccc(F)cc1C
InChIInChI=1S/C19H22FN3O3/c1-12-4-7-17(26-3)16(8-12)23-19(25)11-22-18(24)10-21-15-6-5-14(20)9-13(15)2/h4-9,21H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPGWBUKDJPSRCJH-UHFFFAOYSA-N
XLogP2.62
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507206
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26528428
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
3-(3-fluorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]propanamide
CID 43052444
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507789
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
CID 55898772
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (CID 26528432) is 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CNc1ccc(F)cc1C.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is PGWBUKDJPSRCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12-4-7-17(26-3)16(8-12)23-19(25)11-22-18(24)10-21-15-6-5-14(20)9-13(15)2/h4-9,21H,10-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 26528432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).