[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate

C23H18ClF2NO5 — CID 2532367

IUPAC[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
SMILESCCOc1cc(C(=O)Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(F)F
InChIInChI=1S/C23H18ClF2NO5/c1-2-30-20-13-15(5-12-19(20)32-23(25)26)22(29)31-18-10-8-17(9-11-18)27-21(28)14-3-6-16(24)7-4-14/h3-13,23H,2H2,1H3,(H,27,28)
InChIKeyAYPDSXAMYUGNNU-UHFFFAOYSA-N
MW461.85 g/mol
LogP5.81
Rot. Bonds8

About [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate

[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate (PubChem CID 2532367) has the molecular formula C23H18ClF2NO5 and a molecular weight of 461.85 g/mol. Its IUPAC name is [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate.

Molecular Properties

Compound Name[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
PubChem CID2532367
Molecular FormulaC23H18ClF2NO5
Molecular Weight461.85 g/mol
Exact Mass461.08
IUPAC Name[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
SMILESCCOc1cc(C(=O)Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(F)F
InChIInChI=1S/C23H18ClF2NO5/c1-2-30-20-13-15(5-12-19(20)32-23(25)26)22(29)31-18-10-8-17(9-11-18)27-21(28)14-3-6-16(24)7-4-14/h3-13,23H,2H2,1H3,(H,27,28)
InChIKeyAYPDSXAMYUGNNU-UHFFFAOYSA-N
XLogP5.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.85
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712285
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
[4-[(4-chlorophenyl)carbamoyl]phenyl] 3-(4-butoxy-3-ethoxyphenyl)propanoate
CID 19237022
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
[4-(tetrazol-1-yl)phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 29438607
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate?
The IUPAC name of [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate (CID 2532367) is [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate.
What is the SMILES notation for [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate?
The canonical SMILES for [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate is CCOc1cc(C(=O)Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(F)F.
What is the InChIKey of [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate?
The InChIKey is AYPDSXAMYUGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2NO5/c1-2-30-20-13-15(5-12-19(20)32-23(25)26)22(29)31-18-10-8-17(9-11-18)27-21(28)14-3-6-16(24)7-4-14/h3-13,23H,2H2,1H3,(H,27,28).
What are the key properties of [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate?
[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate has a molecular weight of 461.85 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate is sourced from PubChem (CID 2532367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).