N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide

C19H17FN2O3 — CID 17414778

IUPACN-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H17FN2O3/c1-12(17-10-14-4-2-3-5-16(14)25-17)22-18(23)11-21-19(24)13-6-8-15(20)9-7-13/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyJJLVYUGEZUFRIM-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.18
Rot. Bonds5

About N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 17414778) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID17414778
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H17FN2O3/c1-12(17-10-14-4-2-3-5-16(14)25-17)22-18(23)11-21-19(24)13-6-8-15(20)9-7-13/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyJJLVYUGEZUFRIM-UHFFFAOYSA-N
XLogP3.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
CID 9366881
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 9367760
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17398961
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9369742
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9367877

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide (CID 17414778) is N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide is CC(NC(=O)CNC(=O)c1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is JJLVYUGEZUFRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12(17-10-14-4-2-3-5-16(14)25-17)22-18(23)11-21-19(24)13-6-8-15(20)9-7-13/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 340.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 17414778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).