2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

C19H21FN2O3 — CID 113177608

IUPAC2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN(C(C)=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O3/c1-14(23)22(17-7-4-6-16(20)12-17)13-19(24)21-10-9-15-5-3-8-18(11-15)25-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)
InChIKeyRGBXRONAJBCLHO-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.55
Rot. Bonds7

About 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 113177608) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID113177608
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN(C(C)=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O3/c1-14(23)22(17-7-4-6-16(20)12-17)13-19(24)21-10-9-15-5-3-8-18(11-15)25-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)
InChIKeyRGBXRONAJBCLHO-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113169252
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113175282
2-(N-acetyl-2-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113170749
2-(N-acetyl-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 113177692
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113180672
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113177580
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-[acetyl(prop-2-enyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158522

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 113177608) is 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CN(C(C)=O)c2cccc(F)c2)c1.
What is the InChIKey of 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is RGBXRONAJBCLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14(23)22(17-7-4-6-16(20)12-17)13-19(24)21-10-9-15-5-3-8-18(11-15)25-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113177608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).