[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate

C22H18ClNO4 — CID 26682865

IUPAC[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate
SMILESO=C(CCOc1ccccc1)Oc1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClNO4/c23-20-9-5-4-8-19(20)22(26)24-16-10-12-18(13-11-16)28-21(25)14-15-27-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,26)
InChIKeyFELADLWTOJVYGC-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.97
Rot. Bonds7

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

[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate (PubChem CID 26682865) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is [4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate
PubChem CID26682865
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate
SMILESO=C(CCOc1ccccc1)Oc1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H18ClNO4/c23-20-9-5-4-8-19(20)22(26)24-16-10-12-18(13-11-16)28-21(25)14-15-27-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,26)
InChIKeyFELADLWTOJVYGC-UHFFFAOYSA-N
XLogP4.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate
CID 26683269
[4-[(2-chlorobenzoyl)amino]phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 137299587
1-(2-chlorophenyl)-3-phenoxypropan-1-one
CID 61029805
2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644954
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 17133532
(4-chlorophenyl) 3-[(2-chlorobenzoyl)amino]propanoate
CID 7900882
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
CID 17133169
2-chloro-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 4943184

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate?
The IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate (CID 26682865) is [4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate.
What is the SMILES notation for [4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate?
The canonical SMILES for [4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate is O=C(CCOc1ccccc1)Oc1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of [4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate?
The InChIKey is FELADLWTOJVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-20-9-5-4-8-19(20)22(26)24-16-10-12-18(13-11-16)28-21(25)14-15-27-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,26).
What are the key properties of [4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate?
[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate has a molecular weight of 395.84 g/mol, XLogP of 4.97, 7 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] 3-phenoxypropanoate is sourced from PubChem (CID 26682865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).