methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate

C18H18ClNO4 — CID 888208

IUPACmethyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-18(2,24-13-10-8-12(19)9-11-13)17(22)20-15-7-5-4-6-14(15)16(21)23-3/h4-11H,1-3H3,(H,20,22)
InChIKeyXYXQTZHNFYXNHN-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.92
Rot. Bonds5

About methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate

methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate (PubChem CID 888208) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
PubChem CID888208
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Namemethyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-18(2,24-13-10-8-12(19)9-11-13)17(22)20-15-7-5-4-6-14(15)16(21)23-3/h4-11H,1-3H3,(H,20,22)
InChIKeyXYXQTZHNFYXNHN-UHFFFAOYSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate
CID 7951075
2-(4-chlorophenoxy)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 5085201
methyl 2-(2,2-dichloropropanoylamino)benzoate
CID 10660048
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N-propan-2-ylbenzamide
CID 86982882
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 95733665
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 95733664
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate (CID 888208) is methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate?
The InChIKey is XYXQTZHNFYXNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-18(2,24-13-10-8-12(19)9-11-13)17(22)20-15-7-5-4-6-14(15)16(21)23-3/h4-11H,1-3H3,(H,20,22).
What are the key properties of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate?
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate has a molecular weight of 347.80 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate is sourced from PubChem (CID 888208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).