2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide

C11H13ClN4O4 — CID 168533326

IUPAC2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=NNC(N)=O)c(Cl)cc1OCC(N)=O
InChIInChI=1S/C11H13ClN4O4/c1-19-8-2-6(4-15-16-11(14)18)7(12)3-9(8)20-5-10(13)17/h2-4H,5H2,1H3,(H2,13,17)(H3,14,16,18)
InChIKeyKZLZQCZNOLQHNW-UHFFFAOYSA-N
MW300.70 g/mol
LogP0.21
Rot. Bonds6

About 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide

2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide (PubChem CID 168533326) has the molecular formula C11H13ClN4O4 and a molecular weight of 300.70 g/mol. Its IUPAC name is 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide
PubChem CID168533326
Molecular FormulaC11H13ClN4O4
Molecular Weight300.70 g/mol
Exact Mass300.06
IUPAC Name2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C=NNC(N)=O)c(Cl)cc1OCC(N)=O
InChIInChI=1S/C11H13ClN4O4/c1-19-8-2-6(4-15-16-11(14)18)7(12)3-9(8)20-5-10(13)17/h2-4H,5H2,1H3,(H2,13,17)(H3,14,16,18)
InChIKeyKZLZQCZNOLQHNW-UHFFFAOYSA-N
XLogP0.21
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54784560
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 54784607
methyl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxy-5-nitrophenoxy]acetate
CID 168533162
2-[4-[(carbamothioylhydrazinylidene)methyl]-5-chloro-2-ethoxyphenoxy]acetic acid
CID 168535799
[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 168533319
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 54784583
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
2-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 19617611

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide (CID 168533326) is 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide is COc1cc(C=NNC(N)=O)c(Cl)cc1OCC(N)=O.
What is the InChIKey of 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide?
The InChIKey is KZLZQCZNOLQHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O4/c1-19-8-2-6(4-15-16-11(14)18)7(12)3-9(8)20-5-10(13)17/h2-4H,5H2,1H3,(H2,13,17)(H3,14,16,18).
What are the key properties of 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide?
2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide has a molecular weight of 300.70 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 168533326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).