methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate

C12H14ClNO4 — CID 11425737

IUPACmethyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate
SMILESCCOCC(=O)Nc1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C12H14ClNO4/c1-3-18-7-11(15)14-10-5-4-8(13)6-9(10)12(16)17-2/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyXOERLWPSQRRWIH-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.10
Rot. Bonds5

About methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate

methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate (PubChem CID 11425737) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate
PubChem CID11425737
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Namemethyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate
SMILESCCOCC(=O)Nc1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C12H14ClNO4/c1-3-18-7-11(15)14-10-5-4-8(13)6-9(10)12(16)17-2/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyXOERLWPSQRRWIH-UHFFFAOYSA-N
XLogP2.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 51039954
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102655772
N-(4-chloro-2-nitrophenyl)-2-ethoxyacetamide
CID 60719107
methyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-chlorobenzoate
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methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
2-[[2-(4-chloro-2-methoxycarbonylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 51040154
methyl 5-chloro-2-[[2-[2-[3-(furan-2-yl)anilino]-2-oxoethoxy]acetyl]amino]benzoate
CID 66877597
methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
CID 62832150
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoate
CID 61173703
methyl 2-[[2-[2-[3-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]acetyl]amino]-5-chlorobenzoate
CID 66877661
methyl 5-chloro-2-(pentylamino)benzoate
CID 18803223

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate (CID 11425737) is methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate is CCOCC(=O)Nc1ccc(Cl)cc1C(=O)OC.
What is the InChIKey of methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate?
The InChIKey is XOERLWPSQRRWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-3-18-7-11(15)14-10-5-4-8(13)6-9(10)12(16)17-2/h4-6H,3,7H2,1-2H3,(H,14,15).
What are the key properties of methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate?
methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate has a molecular weight of 271.70 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate is sourced from PubChem (CID 11425737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).