2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide

C19H22FN3O2 — CID 31773664

IUPAC2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCC(=O)Nc1cc(NCC(=O)NCCc2ccccc2C)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-13-5-3-4-6-15(13)9-10-21-19(25)12-22-16-7-8-17(20)18(11-16)23-14(2)24/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyLJHOXUFTJWWGRS-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.86
Rot. Bonds7

About 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide

2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide (PubChem CID 31773664) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide
PubChem CID31773664
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCC(=O)Nc1cc(NCC(=O)NCCc2ccccc2C)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-13-5-3-4-6-15(13)9-10-21-19(25)12-22-16-7-8-17(20)18(11-16)23-14(2)24/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyLJHOXUFTJWWGRS-UHFFFAOYSA-N
XLogP2.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000392
2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000327
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
ethyl 2-[[2-(3-acetamido-4-fluoroanilino)acetyl]amino]benzoate
CID 31767371
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 31773469
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000360
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112993331
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide (CID 31773664) is 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide is CC(=O)Nc1cc(NCC(=O)NCCc2ccccc2C)ccc1F.
What is the InChIKey of 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is LJHOXUFTJWWGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-5-3-4-6-15(13)9-10-21-19(25)12-22-16-7-8-17(20)18(11-16)23-14(2)24/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide?
2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 31773664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).