N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide

C15H14Cl2N2O3 — CID 9441486

IUPACN-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O3/c1-9(11-5-4-10(16)7-12(11)17)19-14(20)8-18-15(21)13-3-2-6-22-13/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)/t9-/m0/s1
InChIKeyAGFIPJBMMHMWRD-VIFPVBQESA-N
MW341.19 g/mol
LogP3.19
Rot. Bonds5

About N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9441486) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9441486
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC NameN-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O3/c1-9(11-5-4-10(16)7-12(11)17)19-14(20)8-18-15(21)13-3-2-6-22-13/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)/t9-/m0/s1
InChIKeyAGFIPJBMMHMWRD-VIFPVBQESA-N
XLogP3.19
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9232204
N-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 31194170
N-[2-[[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9225176
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9441430
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755622
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 17424629
N-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 24544918
N-[1-(2,4-dichlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51311614
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841698
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 25483366
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7969663

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 9441486) is N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide is C[C@H](NC(=O)CNC(=O)c1ccco1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is AGFIPJBMMHMWRD-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-9(11-5-4-10(16)7-12(11)17)19-14(20)8-18-15(21)13-3-2-6-22-13/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)/t9-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 341.19 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9441486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).