4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid

C17H16ClNO4 — CID 20984298

IUPAC4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c18-13-5-7-14(8-6-13)19-17(22)12-3-9-15(10-4-12)23-11-1-2-16(20)21/h3-10H,1-2,11H2,(H,19,22)(H,20,21)
InChIKeyLPMRXAREYNUCMY-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.84
Rot. Bonds7

About 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid

4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid (PubChem CID 20984298) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid
PubChem CID20984298
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c18-13-5-7-14(8-6-13)19-17(22)12-3-9-15(10-4-12)23-11-1-2-16(20)21/h3-10H,1-2,11H2,(H,19,22)(H,20,21)
InChIKeyLPMRXAREYNUCMY-UHFFFAOYSA-N
XLogP3.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide
CID 23520545
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
CID 17137638
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 17133532
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 22684313
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22680833
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid?
The IUPAC name of 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid (CID 20984298) is 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid is O=C(O)CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid?
The InChIKey is LPMRXAREYNUCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c18-13-5-7-14(8-6-13)19-17(22)12-3-9-15(10-4-12)23-11-1-2-16(20)21/h3-10H,1-2,11H2,(H,19,22)(H,20,21).
What are the key properties of 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid?
4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid has a molecular weight of 333.77 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]butanoic acid is sourced from PubChem (CID 20984298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).