N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide

C21H23ClN2O2 — CID 112810932

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide
SMILESCC(NC(C)c1cccc(Cl)c1)C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C21H23ClN2O2/c1-13(16-8-6-9-18(22)11-16)23-15(3)21(25)24-14(2)20-12-17-7-4-5-10-19(17)26-20/h4-15,23H,1-3H3,(H,24,25)
InChIKeyKIHDNYOVUCHCQC-UHFFFAOYSA-N
MW370.88 g/mol
LogP5.00
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide (PubChem CID 112810932) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide
PubChem CID112810932
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide
SMILESCC(NC(C)c1cccc(Cl)c1)C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C21H23ClN2O2/c1-13(16-8-6-9-18(22)11-16)23-15(3)21(25)24-14(2)20-12-17-7-4-5-10-19(17)26-20/h4-15,23H,1-3H3,(H,24,25)
InChIKeyKIHDNYOVUCHCQC-UHFFFAOYSA-N
XLogP5.00
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
CID 112811052
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
CID 115574060
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
(E)-3-(1-benzofuran-2-yl)-N-[1-(3-chlorophenyl)ethyl]prop-2-enamide
CID 18283459
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 9013193
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 112798738
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-chlorobenzoate
CID 9014368
2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
CID 47097502
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide (CID 112810932) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide is CC(NC(C)c1cccc(Cl)c1)C(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide?
The InChIKey is KIHDNYOVUCHCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-13(16-8-6-9-18(22)11-16)23-15(3)21(25)24-14(2)20-12-17-7-4-5-10-19(17)26-20/h4-15,23H,1-3H3,(H,24,25).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide has a molecular weight of 370.88 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 112810932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).