[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate

C24H22ClNO4 — CID 26683269

IUPAC[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate
SMILESCc1cccc(OCCCC(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)c1
InChIInChI=1S/C24H22ClNO4/c1-17-6-4-7-20(16-17)29-15-5-10-23(27)30-19-13-11-18(12-14-19)26-24(28)21-8-2-3-9-22(21)25/h2-4,6-9,11-14,16H,5,10,15H2,1H3,(H,26,28)
InChIKeyGBVIKLRCAWKPHL-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.67
Rot. Bonds8

About [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate

[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate (PubChem CID 26683269) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate.

Molecular Properties

Compound Name[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate
PubChem CID26683269
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate
SMILESCc1cccc(OCCCC(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)c1
InChIInChI=1S/C24H22ClNO4/c1-17-6-4-7-20(16-17)29-15-5-10-23(27)30-19-13-11-18(12-14-19)26-24(28)21-8-2-3-9-22(21)25/h2-4,6-9,11-14,16H,5,10,15H2,1H3,(H,26,28)
InChIKeyGBVIKLRCAWKPHL-UHFFFAOYSA-N
XLogP5.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate
CID 26682865
[4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate
CID 26689437
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
CID 105081455
[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(4-chloro-3,5-dimethylphenoxy)butanoate
CID 19206146
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
[3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1355970
N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
CID 8884397
[4-[(3-methylbenzoyl)amino]phenyl] 5-oxohexanoate
CID 9455607
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
CID 17133169

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate?
The IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate (CID 26683269) is [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate.
What is the SMILES notation for [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate?
The canonical SMILES for [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate is Cc1cccc(OCCCC(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)c1.
What is the InChIKey of [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate?
The InChIKey is GBVIKLRCAWKPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-17-6-4-7-20(16-17)29-15-5-10-23(27)30-19-13-11-18(12-14-19)26-24(28)21-8-2-3-9-22(21)25/h2-4,6-9,11-14,16H,5,10,15H2,1H3,(H,26,28).
What are the key properties of [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate?
[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate has a molecular weight of 423.90 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate is sourced from PubChem (CID 26683269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).