methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate

C12H14ClNO4 — CID 11000181

IUPACmethyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate
SMILESCOCC(=O)Nc1cc(Cl)c(C)cc1C(=O)OC
InChIInChI=1S/C12H14ClNO4/c1-7-4-8(12(16)18-3)10(5-9(7)13)14-11(15)6-17-2/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyZKNUSWJMOCYDBX-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.02
Rot. Bonds4

About methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate

methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate (PubChem CID 11000181) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate
PubChem CID11000181
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Namemethyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate
SMILESCOCC(=O)Nc1cc(Cl)c(C)cc1C(=O)OC
InChIInChI=1S/C12H14ClNO4/c1-7-4-8(12(16)18-3)10(5-9(7)13)14-11(15)6-17-2/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyZKNUSWJMOCYDBX-UHFFFAOYSA-N
XLogP2.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methyl 2-acetamido-4-chloro-5-methylbenzoate
CID 166531649
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
methyl 2-[[2-(benzenesulfonyl)acetyl]amino]-4-chloro-5-methylbenzoate
CID 123750606
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
CID 103841314
methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 43037508
methyl 2-acetamido-4-chloro-5-iodobenzoate
CID 10689426
methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate
CID 11425737
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104723917

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate?
The IUPAC name of methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate (CID 11000181) is methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate.
What is the SMILES notation for methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate?
The canonical SMILES for methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate is COCC(=O)Nc1cc(Cl)c(C)cc1C(=O)OC.
What is the InChIKey of methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate?
The InChIKey is ZKNUSWJMOCYDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-7-4-8(12(16)18-3)10(5-9(7)13)14-11(15)6-17-2/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate?
methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate has a molecular weight of 271.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate is sourced from PubChem (CID 11000181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).