4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate

C17H15ClNO4- — CID 7372746

IUPAC4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1C
InChIInChI=1S/C17H16ClNO4/c1-10-3-5-13(7-11(10)2)23-9-16(20)19-15-8-12(18)4-6-14(15)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyDABQRLIUIXPPIO-UHFFFAOYSA-M
MW332.76 g/mol
LogP2.34
Rot. Bonds5

About 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate

4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate (PubChem CID 7372746) has the molecular formula C17H15ClNO4- and a molecular weight of 332.76 g/mol. Its IUPAC name is 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Name4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
PubChem CID7372746
Molecular FormulaC17H15ClNO4-
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1C
InChIInChI=1S/C17H16ClNO4/c1-10-3-5-13(7-11(10)2)23-9-16(20)19-15-8-12(18)4-6-14(15)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyDABQRLIUIXPPIO-UHFFFAOYSA-M
XLogP2.34
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 7334375
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
4-carboxy-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenolate
CID 54716594
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
5-chloro-2-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
CID 7372915
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide
CID 163767124

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate (CID 7372746) is 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate is Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1C.
What is the InChIKey of 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate?
The InChIKey is DABQRLIUIXPPIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16ClNO4/c1-10-3-5-13(7-11(10)2)23-9-16(20)19-15-8-12(18)4-6-14(15)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate?
4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate has a molecular weight of 332.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 7372746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).