[3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate

C23H20ClNO4 — CID 1355970

IUPAC[3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)Oc2cccc(NC(=O)c3ccccc3Cl)c2)cc1C
InChIInChI=1S/C23H20ClNO4/c1-15-10-11-18(12-16(15)2)28-14-22(26)29-19-7-5-6-17(13-19)25-23(27)20-8-3-4-9-21(20)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyOEAPJOIPKDILOP-UHFFFAOYSA-N
MW409.87 g/mol
LogP5.19
Rot. Bonds6

About [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate

[3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate (PubChem CID 1355970) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate
PubChem CID1355970
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name[3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)Oc2cccc(NC(=O)c3ccccc3Cl)c2)cc1C
InChIInChI=1S/C23H20ClNO4/c1-15-10-11-18(12-16(15)2)28-14-22(26)29-19-7-5-6-17(13-19)25-23(27)20-8-3-4-9-21(20)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyOEAPJOIPKDILOP-UHFFFAOYSA-N
XLogP5.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.87
LogP ≤ 55.19
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

2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate
CID 17342012
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
(3,4-dimethylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19167643
methyl 3-[2-(3,4-dimethylphenoxy)acetyl]oxybenzoate
CID 8840234
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate
CID 18870014
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate
CID 26683269
2-chloro-N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]benzamide
CID 1332229
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
2-chloro-N-[5-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55790277

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate?
The IUPAC name of [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate (CID 1355970) is [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate.
What is the SMILES notation for [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate?
The canonical SMILES for [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)Oc2cccc(NC(=O)c3ccccc3Cl)c2)cc1C.
What is the InChIKey of [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate?
The InChIKey is OEAPJOIPKDILOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-15-10-11-18(12-16(15)2)28-14-22(26)29-19-7-5-6-17(13-19)25-23(27)20-8-3-4-9-21(20)24/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate?
[3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate has a molecular weight of 409.87 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate is sourced from PubChem (CID 1355970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).