N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide

C20H21Cl3N2O2 — CID 112841439

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
SMILESCN(CC(=O)NCCc1ccc(Cl)cc1)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C20H21Cl3N2O2/c1-25(11-19(27)24-7-6-12-2-4-13(21)5-3-12)20-16-8-14(22)9-17(23)15(16)10-18(20)26/h2-5,8-9,18,20,26H,6-7,10-11H2,1H3,(H,24,27)
InChIKeyVGYYKRIHQQMKGW-UHFFFAOYSA-N
MW427.76 g/mol
LogP3.90
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide (PubChem CID 112841439) has the molecular formula C20H21Cl3N2O2 and a molecular weight of 427.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
PubChem CID112841439
Molecular FormulaC20H21Cl3N2O2
Molecular Weight427.76 g/mol
Exact Mass426.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
SMILESCN(CC(=O)NCCc1ccc(Cl)cc1)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C20H21Cl3N2O2/c1-25(11-19(27)24-7-6-12-2-4-13(21)5-3-12)20-16-8-14(22)9-17(23)15(16)10-18(20)26/h2-5,8-9,18,20,26H,6-7,10-11H2,1H3,(H,24,27)
InChIKeyVGYYKRIHQQMKGW-UHFFFAOYSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.76
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-prop-2-ynylacetamide
CID 124732456
N-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 99795247
1-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,3-difluorophenyl)-1-methylurea
CID 99779132
4-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]butanenitrile
CID 124802998
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
N-[2-(3,5-dichlorophenyl)ethyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 52512350
N-[2-(3,5-dichlorophenyl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 51127064
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9196994
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133673

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide (CID 112841439) is N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide is CN(CC(=O)NCCc1ccc(Cl)cc1)C1c2cc(Cl)cc(Cl)c2CC1O.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide?
The InChIKey is VGYYKRIHQQMKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N2O2/c1-25(11-19(27)24-7-6-12-2-4-13(21)5-3-12)20-16-8-14(22)9-17(23)15(16)10-18(20)26/h2-5,8-9,18,20,26H,6-7,10-11H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide has a molecular weight of 427.76 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide is sourced from PubChem (CID 112841439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).