2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide

C12H15ClN4O4 — CID 57361228

IUPAC2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(C=NNC(N)=O)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C12H15ClN4O4/c1-2-20-9-4-7(5-16-17-12(15)19)3-8(13)11(9)21-6-10(14)18/h3-5H,2,6H2,1H3,(H2,14,18)(H3,15,17,19)
InChIKeyRHSUCXLAFXJHBX-UHFFFAOYSA-N
MW314.73 g/mol
LogP0.61
Rot. Bonds7

About 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide

2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide (PubChem CID 57361228) has the molecular formula C12H15ClN4O4 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
PubChem CID57361228
Molecular FormulaC12H15ClN4O4
Molecular Weight314.73 g/mol
Exact Mass314.08
IUPAC Name2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(C=NNC(N)=O)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C12H15ClN4O4/c1-2-20-9-4-7(5-16-17-12(15)19)3-8(13)11(9)21-6-10(14)18/h3-5H,2,6H2,1H3,(H2,14,18)(H3,15,17,19)
InChIKeyRHSUCXLAFXJHBX-UHFFFAOYSA-N
XLogP0.61
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 50.61
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)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126258500
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-4-bromobenzamide
CID 126273147
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19617941
2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide
CID 19587913
[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenyl] acetate
CID 19617998
2-[2-chloro-6-ethoxy-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetic acid
CID 4038892
2-[2-chloro-4-[(E)-[(3,4-diethoxybenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126340491
[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea
CID 19617965
2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7706844
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509413
[(E)-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea
CID 19618018
[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 6872804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide (CID 57361228) is 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide is CCOc1cc(C=NNC(N)=O)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide?
The InChIKey is RHSUCXLAFXJHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O4/c1-2-20-9-4-7(5-16-17-12(15)19)3-8(13)11(9)21-6-10(14)18/h3-5H,2,6H2,1H3,(H2,14,18)(H3,15,17,19).
What are the key properties of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide?
2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide has a molecular weight of 314.73 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide is sourced from PubChem (CID 57361228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).