2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide

C14H17Cl2NO4 — CID 166432113

IUPAC2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
SMILESCOc1ccc(Cl)cc1CN(C(=O)CCl)[C@H]1COC[C@@H]1O
InChIInChI=1S/C14H17Cl2NO4/c1-20-13-3-2-10(16)4-9(13)6-17(14(19)5-15)11-7-21-8-12(11)18/h2-4,11-12,18H,5-8H2,1H3/t11-,12-/m0/s1
InChIKeyJUKARLLAXDUOAZ-RYUDHWBXSA-N
MW334.20 g/mol
LogP1.68
Rot. Bonds5

About 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide

2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide (PubChem CID 166432113) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
PubChem CID166432113
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
SMILESCOc1ccc(Cl)cc1CN(C(=O)CCl)[C@H]1COC[C@@H]1O
InChIInChI=1S/C14H17Cl2NO4/c1-20-13-3-2-10(16)4-9(13)6-17(14(19)5-15)11-7-21-8-12(11)18/h2-4,11-12,18H,5-8H2,1H3/t11-,12-/m0/s1
InChIKeyJUKARLLAXDUOAZ-RYUDHWBXSA-N
XLogP1.68
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 66568175
(3R,4S)-4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl-methylamino]oxolan-3-ol
CID 77096937
2-(5-chloro-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067216
N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2-morpholin-4-ylacetamide
CID 46985161
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 115158922
3-(4-chloro-2-methoxy-5-methylphenyl)-1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]urea
CID 118776886
2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid
CID 60983231
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116576466
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 54925840
(2R,4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138507

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide (CID 166432113) is 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide is COc1ccc(Cl)cc1CN(C(=O)CCl)[C@H]1COC[C@@H]1O.
What is the InChIKey of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide?
The InChIKey is JUKARLLAXDUOAZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-20-13-3-2-10(16)4-9(13)6-17(14(19)5-15)11-7-21-8-12(11)18/h2-4,11-12,18H,5-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide?
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide has a molecular weight of 334.20 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide is sourced from PubChem (CID 166432113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).