2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid

C16H12Cl2N2O2 — CID 6901106

IUPAC2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cc(N/N=C/C(Cl)=C/c2ccccc2)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-12(8-11-4-2-1-3-5-11)10-19-20-13-6-7-15(18)14(9-13)16(21)22/h1-10,20H,(H,21,22)/b12-8-,19-10+
InChIKeyRHCYWSAWAFHLEL-BSHSOUCVSA-N
MW335.19 g/mol
LogP4.72
Rot. Bonds5

About 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid

2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid (PubChem CID 6901106) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid
PubChem CID6901106
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cc(N/N=C/C(Cl)=C/c2ccccc2)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-12(8-11-4-2-1-3-5-11)10-19-20-13-6-7-15(18)14(9-13)16(21)22/h1-10,20H,(H,21,22)/b12-8-,19-10+
InChIKeyRHCYWSAWAFHLEL-BSHSOUCVSA-N
XLogP4.72
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.72
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

N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide
CID 84582854
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
2-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzoic acid
CID 6310893
5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid
CID 126223635
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-pyrrole-2-carboxamide
CID 9025596
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982
2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid
CID 6217133
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-4-fluorobenzamide
CID 3883707
2-chloro-5-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 6145645
2-chloro-5-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]benzoic acid
CID 6049630
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
CID 60861944

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid (CID 6901106) is 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid is O=C(O)c1cc(N/N=C/C(Cl)=C/c2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid?
The InChIKey is RHCYWSAWAFHLEL-BSHSOUCVSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-12(8-11-4-2-1-3-5-11)10-19-20-13-6-7-15(18)14(9-13)16(21)22/h1-10,20H,(H,21,22)/b12-8-,19-10+.
What are the key properties of 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid?
2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid has a molecular weight of 335.19 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2E)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 6901106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).