4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid

C23H19ClN2O5 — CID 154646170

IUPAC4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid
SMILESCC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C23H19ClN2O5/c1-14(22(28)26-25-19-10-4-17(5-11-19)23(29)30)31-20-12-6-16(7-13-20)21(27)15-2-8-18(24)9-3-15/h2-14,25H,1H3,(H,26,28)(H,29,30)
InChIKeyLDJHMJRRTKVNGQ-UHFFFAOYSA-N
MW438.87 g/mol
LogP4.18
Rot. Bonds8

About 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid

4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid (PubChem CID 154646170) has the molecular formula C23H19ClN2O5 and a molecular weight of 438.87 g/mol. Its IUPAC name is 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid
PubChem CID154646170
Molecular FormulaC23H19ClN2O5
Molecular Weight438.87 g/mol
Exact Mass438.10
IUPAC Name4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid
SMILESCC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C23H19ClN2O5/c1-14(22(28)26-25-19-10-4-17(5-11-19)23(29)30)31-20-12-6-16(7-13-20)21(27)15-2-8-18(24)9-3-15/h2-14,25H,1H3,(H,26,28)(H,29,30)
InChIKeyLDJHMJRRTKVNGQ-UHFFFAOYSA-N
XLogP4.18
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
CID 94185711
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
CID 154646156
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879726

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid (CID 154646170) is 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid is CC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid?
The InChIKey is LDJHMJRRTKVNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O5/c1-14(22(28)26-25-19-10-4-17(5-11-19)23(29)30)31-20-12-6-16(7-13-20)21(27)15-2-8-18(24)9-3-15/h2-14,25H,1H3,(H,26,28)(H,29,30).
What are the key properties of 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid?
4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid has a molecular weight of 438.87 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid is sourced from PubChem (CID 154646170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).