2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide

C20H20FN3O3 — CID 51932530

IUPAC2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(=O)Nc1cc(NCC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1F
InChIInChI=1S/C20H20FN3O3/c1-12(19-9-14-5-3-4-6-18(14)27-19)23-20(26)11-22-15-7-8-16(21)17(10-15)24-13(2)25/h3-10,12,22H,11H2,1-2H3,(H,23,26)(H,24,25)/t12-/m1/s1
InChIKeyMCQYBSLTUNBXEO-GFCCVEGCSA-N
MW369.40 g/mol
LogP3.82
Rot. Bonds6

About 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide

2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide (PubChem CID 51932530) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
PubChem CID51932530
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
SMILESCC(=O)Nc1cc(NCC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1F
InChIInChI=1S/C20H20FN3O3/c1-12(19-9-14-5-3-4-6-18(14)27-19)23-20(26)11-22-15-7-8-16(21)17(10-15)24-13(2)25/h3-10,12,22H,11H2,1-2H3,(H,23,26)(H,24,25)/t12-/m1/s1
InChIKeyMCQYBSLTUNBXEO-GFCCVEGCSA-N
XLogP3.82
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
CID 112801490
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide
CID 60569246
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide (CID 51932530) is 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide is CC(=O)Nc1cc(NCC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1F.
What is the InChIKey of 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide?
The InChIKey is MCQYBSLTUNBXEO-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12(19-9-14-5-3-4-6-18(14)27-19)23-20(26)11-22-15-7-8-16(21)17(10-15)24-13(2)25/h3-10,12,22H,11H2,1-2H3,(H,23,26)(H,24,25)/t12-/m1/s1.
What are the key properties of 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide?
2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide has a molecular weight of 369.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 51932530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).