2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

C23H20ClN3O6 — CID 126170071

IUPAC2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESC[C@@H](NC(=O)COc1ccccc1Cl)C(=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1
InChIInChI=1S/C23H20ClN3O6/c1-14(26-21(28)13-32-20-9-5-4-8-18(20)24)22(29)27-25-12-15-10-11-19(33-15)16-6-2-3-7-17(16)23(30)31/h2-12,14H,13H2,1H3,(H,26,28)(H,27,29)(H,30,31)/b25-12-/t14-/m1/s1
InChIKeyXVVTYTILRHCUDS-QTYGBZKPSA-N
MW469.88 g/mol
LogP3.33
Rot. Bonds9

About 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 126170071) has the molecular formula C23H20ClN3O6 and a molecular weight of 469.88 g/mol. Its IUPAC name is 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID126170071
Molecular FormulaC23H20ClN3O6
Molecular Weight469.88 g/mol
Exact Mass469.10
IUPAC Name2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESC[C@@H](NC(=O)COc1ccccc1Cl)C(=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1
InChIInChI=1S/C23H20ClN3O6/c1-14(26-21(28)13-32-20-9-5-4-8-18(20)24)22(29)27-25-12-15-10-11-19(33-15)16-6-2-3-7-17(16)23(30)31/h2-12,14H,13H2,1H3,(H,26,28)(H,27,29)(H,30,31)/b25-12-/t14-/m1/s1
InChIKeyXVVTYTILRHCUDS-QTYGBZKPSA-N
XLogP3.33
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid with MolForge

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Related Compounds

propan-2-yl 3-[5-[(Z)-[[(2S)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126168529
2-[5-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126170199
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 1104273
(2S)-N-[(Z)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide
CID 126166745
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759
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-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]-N-[(Z)-(1-propan-2-ylindol-3-yl)methylideneamino]propanamide
CID 126163801
N-[(2R)-1-[(2Z)-2-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 126177531
2-chloro-N-[(2R)-1-[(2Z)-2-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 126174761

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 126170071) is 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is C[C@@H](NC(=O)COc1ccccc1Cl)C(=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1.
What is the InChIKey of 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is XVVTYTILRHCUDS-QTYGBZKPSA-N. The full InChI is InChI=1S/C23H20ClN3O6/c1-14(26-21(28)13-32-20-9-5-4-8-18(20)24)22(29)27-25-12-15-10-11-19(33-15)16-6-2-3-7-17(16)23(30)31/h2-12,14H,13H2,1H3,(H,26,28)(H,27,29)(H,30,31)/b25-12-/t14-/m1/s1.
What are the key properties of 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 469.88 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(Z)-[[(2R)-2-[[2-(2-chlorophenoxy)acetyl]amino]propanoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 126170071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).