2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid

C15H11Cl3N2O2 — CID 6300123

IUPAC2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1ccc(Cl)c(C(=O)O)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c1-8(11-6-9(16)2-4-13(11)17)19-20-10-3-5-14(18)12(7-10)15(21)22/h2-7,20H,1H3,(H,21,22)/b19-8-
InChIKeyDQLUYGGCWAQJIF-UWVJOHFNSA-N
MW357.62 g/mol
LogP5.18
Rot. Bonds4

About 2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid

2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 6300123) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID6300123
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC Name2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1ccc(Cl)c(C(=O)O)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c1-8(11-6-9(16)2-4-13(11)17)19-20-10-3-5-14(18)12(7-10)15(21)22/h2-7,20H,1H3,(H,21,22)/b19-8-
InChIKeyDQLUYGGCWAQJIF-UWVJOHFNSA-N
XLogP5.18
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 55.18
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

3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 16555836
3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
2-chloro-5-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 4300959
4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 8825826
5-[2-[1-(1-benzofuran-2-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid
CID 4181543
2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid
CID 6310893
3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
CID 3541372
N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline
CID 174945820
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
5-[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-2-chlorobenzoate
CID 7416836
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid (CID 6300123) is 2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid is C/C(=N/Nc1ccc(Cl)c(C(=O)O)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is DQLUYGGCWAQJIF-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c1-8(11-6-9(16)2-4-13(11)17)19-20-10-3-5-14(18)12(7-10)15(21)22/h2-7,20H,1H3,(H,21,22)/b19-8-.
What are the key properties of 2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid?
2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 357.62 g/mol, XLogP of 5.18, 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-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 6300123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).