5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid

C19H13ClN2O5 — CID 126223635

IUPAC5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid
SMILESO=C(O)c1cc(N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)ccc1Cl
InChIInChI=1S/C19H13ClN2O5/c20-16-7-5-11(9-15(16)19(25)26)22-21-10-12-6-8-17(27-12)13-3-1-2-4-14(13)18(23)24/h1-10,22H,(H,23,24)(H,25,26)/b21-10+
InChIKeyUUXRSJOBBZQOII-UFFVCSGVSA-N
MW384.78 g/mol
LogP4.44
Rot. Bonds6

About 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid

5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid (PubChem CID 126223635) has the molecular formula C19H13ClN2O5 and a molecular weight of 384.78 g/mol. Its IUPAC name is 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid
PubChem CID126223635
Molecular FormulaC19H13ClN2O5
Molecular Weight384.78 g/mol
Exact Mass384.05
IUPAC Name5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid
SMILESO=C(O)c1cc(N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)ccc1Cl
InChIInChI=1S/C19H13ClN2O5/c20-16-7-5-11(9-15(16)19(25)26)22-21-10-12-6-8-17(27-12)13-3-1-2-4-14(13)18(23)24/h1-10,22H,(H,23,24)(H,25,26)/b21-10+
InChIKeyUUXRSJOBBZQOII-UFFVCSGVSA-N
XLogP4.44
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 54.44
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

5-[(2E)-2-[[5-(3-carboxy-4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-methylbenzoic acid
CID 58586325
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717
2-[5-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3122084
2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126269614
2-[5-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126269619
2-[5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5427044
2-[5-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126170199
2-[5-[[(3-acetamidobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3311637
3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline
CID 50886039
2-[5-[(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 921616
2-[5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5419728

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid?
The IUPAC name of 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid (CID 126223635) is 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid?
The canonical SMILES for 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid is O=C(O)c1cc(N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)ccc1Cl.
What is the InChIKey of 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid?
The InChIKey is UUXRSJOBBZQOII-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H13ClN2O5/c20-16-7-5-11(9-15(16)19(25)26)22-21-10-12-6-8-17(27-12)13-3-1-2-4-14(13)18(23)24/h1-10,22H,(H,23,24)(H,25,26)/b21-10+.
What are the key properties of 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid?
5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid has a molecular weight of 384.78 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid is sourced from PubChem (CID 126223635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).