2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide

C16H18Cl3N3O4 — CID 57182938

IUPAC2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide
SMILESCC1(C)CON(Cc2cc(N(NC(=O)CCl)C(=O)CCl)ccc2Cl)C1=O
InChIInChI=1S/C16H18Cl3N3O4/c1-16(2)9-26-21(15(16)25)8-10-5-11(3-4-12(10)19)22(14(24)7-18)20-13(23)6-17/h3-5H,6-9H2,1-2H3,(H,20,23)
InChIKeyGCJPFVWHSFBPOG-UHFFFAOYSA-N
MW422.70 g/mol
LogP2.48
Rot. Bonds5

About 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide

2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide (PubChem CID 57182938) has the molecular formula C16H18Cl3N3O4 and a molecular weight of 422.70 g/mol. Its IUPAC name is 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide
PubChem CID57182938
Molecular FormulaC16H18Cl3N3O4
Molecular Weight422.70 g/mol
Exact Mass421.04
IUPAC Name2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide
SMILESCC1(C)CON(Cc2cc(N(NC(=O)CCl)C(=O)CCl)ccc2Cl)C1=O
InChIInChI=1S/C16H18Cl3N3O4/c1-16(2)9-26-21(15(16)25)8-10-5-11(3-4-12(10)19)22(14(24)7-18)20-13(23)6-17/h3-5H,6-9H2,1-2H3,(H,20,23)
InChIKeyGCJPFVWHSFBPOG-UHFFFAOYSA-N
XLogP2.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.70
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide (CID 57182938) is 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide is CC1(C)CON(Cc2cc(N(NC(=O)CCl)C(=O)CCl)ccc2Cl)C1=O.
What is the InChIKey of 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide?
The InChIKey is GCJPFVWHSFBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl3N3O4/c1-16(2)9-26-21(15(16)25)8-10-5-11(3-4-12(10)19)22(14(24)7-18)20-13(23)6-17/h3-5H,6-9H2,1-2H3,(H,20,23).
What are the key properties of 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide?
2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide has a molecular weight of 422.70 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 57182938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).