N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

C17H20Cl2N2O2 — CID 9102518

IUPACN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H20Cl2N2O2/c1-11-4-6-14(23-11)9-21(3)10-17(22)20-12(2)15-7-5-13(18)8-16(15)19/h4-8,12H,9-10H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyRVCVHRZAIMIOPK-LBPRGKRZSA-N
MW355.27 g/mol
LogP4.20
Rot. Bonds6

About N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (PubChem CID 9102518) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
PubChem CID9102518
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H20Cl2N2O2/c1-11-4-6-14(23-11)9-21(3)10-17(22)20-12(2)15-7-5-13(18)8-16(15)19/h4-8,12H,9-10H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyRVCVHRZAIMIOPK-LBPRGKRZSA-N
XLogP4.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120110
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287612
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218
(3R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 26006901
(3R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 26006900
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
CID 43328744
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (CID 9102518) is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The InChIKey is RVCVHRZAIMIOPK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-11-4-6-14(23-11)9-21(3)10-17(22)20-12(2)15-7-5-13(18)8-16(15)19/h4-8,12H,9-10H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide has a molecular weight of 355.27 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9102518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).