[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate

C23H20ClNO3 — CID 33186337

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H20ClNO3/c1-16-3-7-18(8-4-16)23(27)25(2)20-11-13-21(14-12-20)28-22(26)15-17-5-9-19(24)10-6-17/h3-14H,15H2,1-2H3
InChIKeyNNRLWPJODJBCFW-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.07
Rot. Bonds5

About [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate (PubChem CID 33186337) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate
PubChem CID33186337
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H20ClNO3/c1-16-3-7-18(8-4-16)23(27)25(2)20-11-13-21(14-12-20)28-22(26)15-17-5-9-19(24)10-6-17/h3-14H,15H2,1-2H3
InChIKeyNNRLWPJODJBCFW-UHFFFAOYSA-N
XLogP5.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
CID 167274281
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-cyclopentylpropanoate
CID 60594598
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
CID 55383634
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate
CID 33186300
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 55383566
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(thiophene-2-carbonylamino)propanoate
CID 33188002
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 4-nitrobenzoate
CID 33186021
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate (CID 33186337) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate is Cc1ccc(C(=O)N(C)c2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate?
The InChIKey is NNRLWPJODJBCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-16-3-7-18(8-4-16)23(27)25(2)20-11-13-21(14-12-20)28-22(26)15-17-5-9-19(24)10-6-17/h3-14H,15H2,1-2H3.
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate has a molecular weight of 393.87 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 33186337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).