3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide

C19H22FN3O3 — CID 18103265

IUPAC3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H22FN3O3/c1-13-3-4-14(11-17(13)20)22-19(25)12-23(10-9-18(21)24)15-5-7-16(26-2)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyOEMLEIWFATYEQZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.46
Rot. Bonds8

About 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide

3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (PubChem CID 18103265) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
PubChem CID18103265
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H22FN3O3/c1-13-3-4-14(11-17(13)20)22-19(25)12-23(10-9-18(21)24)15-5-7-16(26-2)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyOEMLEIWFATYEQZ-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 17427292
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18127351
3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
CID 17430264
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
3-(N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 40939865
N-(3,4-dimethylphenyl)-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
CID 4136271
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The IUPAC name of 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (CID 18103265) is 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The canonical SMILES for 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The InChIKey is OEMLEIWFATYEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13-3-4-14(11-17(13)20)22-19(25)12-23(10-9-18(21)24)15-5-7-16(26-2)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide has a molecular weight of 359.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 18103265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).