2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide

C18H17ClN2O2 — CID 112801490

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
SMILESCC(NCC(=O)Nc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C18H17ClN2O2/c1-12(17-10-13-4-2-3-5-16(13)23-17)20-11-18(22)21-15-8-6-14(19)7-9-15/h2-10,12,20H,11H2,1H3,(H,21,22)
InChIKeyGSPITLBCSBWDGY-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.38
Rot. Bonds5

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide (PubChem CID 112801490) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
PubChem CID112801490
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
SMILESCC(NCC(=O)Nc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C18H17ClN2O2/c1-12(17-10-13-4-2-3-5-16(13)23-17)20-11-18(22)21-15-8-6-14(19)7-9-15/h2-10,12,20H,11H2,1H3,(H,21,22)
InChIKeyGSPITLBCSBWDGY-UHFFFAOYSA-N
XLogP4.38
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 112801580
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 112801581
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695538
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide (CID 112801490) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide is CC(NCC(=O)Nc1ccc(Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide?
The InChIKey is GSPITLBCSBWDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12(17-10-13-4-2-3-5-16(13)23-17)20-11-18(22)21-15-8-6-14(19)7-9-15/h2-10,12,20H,11H2,1H3,(H,21,22).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide has a molecular weight of 328.80 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 112801490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).