2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid

C14H9Cl3N2O2 — CID 6310893

IUPAC2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cc(N/N=C\c2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3N2O2/c15-9-2-1-8(13(17)5-9)7-18-19-10-3-4-12(16)11(6-10)14(20)21/h1-7,19H,(H,20,21)/b18-7-
InChIKeyBRUZCPZWUODARU-WSVATBPTSA-N
MW343.60 g/mol
LogP4.79
Rot. Bonds4

About 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid

2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 6310893) has the molecular formula C14H9Cl3N2O2 and a molecular weight of 343.60 g/mol. Its IUPAC name is 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID6310893
Molecular FormulaC14H9Cl3N2O2
Molecular Weight343.60 g/mol
Exact Mass341.97
IUPAC Name2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cc(N/N=C\c2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3N2O2/c15-9-2-1-8(13(17)5-9)7-18-19-10-3-4-12(16)11(6-10)14(20)21/h1-7,19H,(H,20,21)/b18-7-
InChIKeyBRUZCPZWUODARU-WSVATBPTSA-N
XLogP4.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 6300123
3,5,6-trichloro-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid
CID 21240957
4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 50883758
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-nitroaniline
CID 6174360
2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid
CID 6049630
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
acetic acid;N'-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]methanimidamide
CID 20849549
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid (CID 6310893) is 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1cc(N/N=C\c2ccc(Cl)cc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is BRUZCPZWUODARU-WSVATBPTSA-N. The full InChI is InChI=1S/C14H9Cl3N2O2/c15-9-2-1-8(13(17)5-9)7-18-19-10-3-4-12(16)11(6-10)14(20)21/h1-7,19H,(H,20,21)/b18-7-.
What are the key properties of 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid?
2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 343.60 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 6310893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).