N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide

C17H19Cl2N3O3 — CID 8921583

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
SMILESC[C@H](NCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C17H19Cl2N3O3/c1-11(15-4-3-7-25-15)20-9-17(24)22(2)10-16(23)21-12-5-6-13(18)14(19)8-12/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyZQOKQYHBHBXJML-NSHDSACASA-N
MW384.26 g/mol
LogP3.33
Rot. Bonds7

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide (PubChem CID 8921583) has the molecular formula C17H19Cl2N3O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
PubChem CID8921583
Molecular FormulaC17H19Cl2N3O3
Molecular Weight384.26 g/mol
Exact Mass383.08
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
SMILESC[C@H](NCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C17H19Cl2N3O3/c1-11(15-4-3-7-25-15)20-9-17(24)22(2)10-16(23)21-12-5-6-13(18)14(19)8-12/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)/t11-/m0/s1
InChIKeyZQOKQYHBHBXJML-NSHDSACASA-N
XLogP3.33
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 8921277
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
CID 81399983
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55347351
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980
N-(3-fluoro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919228
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide
CID 55379421
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide (CID 8921583) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide is C[C@H](NCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide?
The InChIKey is ZQOKQYHBHBXJML-NSHDSACASA-N. The full InChI is InChI=1S/C17H19Cl2N3O3/c1-11(15-4-3-7-25-15)20-9-17(24)22(2)10-16(23)21-12-5-6-13(18)14(19)8-12/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)/t11-/m0/s1.
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide has a molecular weight of 384.26 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide is sourced from PubChem (CID 8921583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).