N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide

C18H16Cl3FN2O2 — CID 124724885

IUPACN-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O
InChIInChI=1S/C18H16Cl3FN2O2/c1-24(8-17(26)23-15-3-2-10(22)6-14(15)21)18-12-4-9(19)5-13(20)11(12)7-16(18)25/h2-6,16,18,25H,7-8H2,1H3,(H,23,26)/t16-,18+/m1/s1
InChIKeyAOJAOLJZOIKNND-AEFFLSMTSA-N
MW417.70 g/mol
LogP4.31
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide

N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide (PubChem CID 124724885) has the molecular formula C18H16Cl3FN2O2 and a molecular weight of 417.70 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
PubChem CID124724885
Molecular FormulaC18H16Cl3FN2O2
Molecular Weight417.70 g/mol
Exact Mass416.03
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O
InChIInChI=1S/C18H16Cl3FN2O2/c1-24(8-17(26)23-15-3-2-10(22)6-14(15)21)18-12-4-9(19)5-13(20)11(12)7-16(18)25/h2-6,16,18,25H,7-8H2,1H3,(H,23,26)/t16-,18+/m1/s1
InChIKeyAOJAOLJZOIKNND-AEFFLSMTSA-N
XLogP4.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.70
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69894243
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CID 69894326
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CID 131967084

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide (CID 124724885) is N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(F)cc1Cl)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide?
The InChIKey is AOJAOLJZOIKNND-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H16Cl3FN2O2/c1-24(8-17(26)23-15-3-2-10(22)6-14(15)21)18-12-4-9(19)5-13(20)11(12)7-16(18)25/h2-6,16,18,25H,7-8H2,1H3,(H,23,26)/t16-,18+/m1/s1.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide has a molecular weight of 417.70 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide is sourced from PubChem (CID 124724885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).