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

C20H21Cl3N2O2 — CID 112841445

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
SMILESCC(NC(=O)CN(C)C1c2cc(Cl)cc(Cl)c2CC1O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl3N2O2/c1-11(12-3-5-13(21)6-4-12)24-19(27)10-25(2)20-16-7-14(22)8-17(23)15(16)9-18(20)26/h3-8,11,18,20,26H,9-10H2,1-2H3,(H,24,27)
InChIKeySILSYRLHKQKHGD-UHFFFAOYSA-N
MW427.76 g/mol
LogP4.41
Rot. Bonds5

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

N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide (PubChem CID 112841445) has the molecular formula C20H21Cl3N2O2 and a molecular weight of 427.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
PubChem CID112841445
Molecular FormulaC20H21Cl3N2O2
Molecular Weight427.76 g/mol
Exact Mass426.07
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
SMILESCC(NC(=O)CN(C)C1c2cc(Cl)cc(Cl)c2CC1O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl3N2O2/c1-11(12-3-5-13(21)6-4-12)24-19(27)10-25(2)20-16-7-14(22)8-17(23)15(16)9-18(20)26/h3-8,11,18,20,26H,9-10H2,1-2H3,(H,24,27)
InChIKeySILSYRLHKQKHGD-UHFFFAOYSA-N
XLogP4.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.76
LogP ≤ 54.41
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-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide
CID 55469245
2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 112841454
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464739
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053730
4-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]butanenitrile
CID 124802998
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene
CID 99842404
2-[cyclohexyl(methyl)amino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 42913403
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
1-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,3-difluorophenyl)-1-methylurea
CID 99779132

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide (CID 112841445) is N-[1-(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-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide is CC(NC(=O)CN(C)C1c2cc(Cl)cc(Cl)c2CC1O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide?
The InChIKey is SILSYRLHKQKHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N2O2/c1-11(12-3-5-13(21)6-4-12)24-19(27)10-25(2)20-16-7-14(22)8-17(23)15(16)9-18(20)26/h3-8,11,18,20,26H,9-10H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide?
N-[1-(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 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide is sourced from PubChem (CID 112841445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).