acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide

C10H12Cl2N4O2 — CID 20849549

IUPACacetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide
SMILESCC(=O)O.N/C=N\N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N4.C2H4O2/c9-7-2-1-6(8(10)3-7)4-12-14-13-5-11;1-2(3)4/h1-5,14H,(H2,11,13);1H3,(H,3,4)/b12-4+;
InChIKeyTWABNBIJBFGRLC-AQCBZIOHSA-N
MW291.14 g/mol
LogP1.91
Rot. Bonds3

About acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide

acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide (PubChem CID 20849549) has the molecular formula C10H12Cl2N4O2 and a molecular weight of 291.14 g/mol. Its IUPAC name is acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide.

Molecular Properties

Compound Nameacetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide
PubChem CID20849549
Molecular FormulaC10H12Cl2N4O2
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC Nameacetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide
SMILESCC(=O)O.N/C=N\N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N4.C2H4O2/c9-7-2-1-6(8(10)3-7)4-12-14-13-5-11;1-2(3)4/h1-5,14H,(H2,11,13);1H3,(H,3,4)/b12-4+;
InChIKeyTWABNBIJBFGRLC-AQCBZIOHSA-N
XLogP1.91
TPSA100.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid
CID 6310893
N-[(2,4-dichlorophenyl)methylideneamino]methanesulfonamide
CID 867204
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 129439417
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine
CID 155130444
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758

Frequently Asked Questions

What is the IUPAC name of acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide?
The IUPAC name of acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide (CID 20849549) is acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide.
What is the SMILES notation for acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide?
The canonical SMILES for acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide is CC(=O)O.N/C=N\N/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide?
The InChIKey is TWABNBIJBFGRLC-AQCBZIOHSA-N. The full InChI is InChI=1S/C8H8Cl2N4.C2H4O2/c9-7-2-1-6(8(10)3-7)4-12-14-13-5-11;1-2(3)4/h1-5,14H,(H2,11,13);1H3,(H,3,4)/b12-4+;.
What are the key properties of acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide?
acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide has a molecular weight of 291.14 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide is sourced from PubChem (CID 20849549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).