ethyl 3-chloro-2-(methylamino)benzoate

C10H12ClNO2 — CID 23093512

IUPACethyl 3-chloro-2-(methylamino)benzoate
SMILESCCOC(=O)c1cccc(Cl)c1NC
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(13)7-5-4-6-8(11)9(7)12-2/h4-6,12H,3H2,1-2H3
InChIKeyJGPAYXGIFHSOPI-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.56
Rot. Bonds3

About ethyl 3-chloro-2-(methylamino)benzoate

ethyl 3-chloro-2-(methylamino)benzoate (PubChem CID 23093512) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is ethyl 3-chloro-2-(methylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-chloro-2-(methylamino)benzoate
PubChem CID23093512
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Nameethyl 3-chloro-2-(methylamino)benzoate
SMILESCCOC(=O)c1cccc(Cl)c1NC
InChIInChI=1S/C10H12ClNO2/c1-3-14-10(13)7-5-4-6-8(11)9(7)12-2/h4-6,12H,3H2,1-2H3
InChIKeyJGPAYXGIFHSOPI-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-(2,6-dichloroanilino)benzoate
CID 115546399
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
ethyl 3-chloro-2-chlorosulfonylbenzoate
CID 18434594
ethyl 3-chloro-2-cyanobenzoate
CID 14696600
ethyl 3-chloro-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 155615590
ethyl 2,3-bis(fluoroamino)benzoate
CID 141129838
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
ethyl 2-formamido-3-methylbenzoate
CID 168653246
ethyl 2,3-difluorobenzoate
CID 2761174
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 3-amino-2-[(4-chlorophenyl)methylamino]benzoate
CID 115934074
ethyl 2-amino-3-(2-chloroacetyl)benzoate
CID 175008428

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-2-(methylamino)benzoate?
The IUPAC name of ethyl 3-chloro-2-(methylamino)benzoate (CID 23093512) is ethyl 3-chloro-2-(methylamino)benzoate.
What is the SMILES notation for ethyl 3-chloro-2-(methylamino)benzoate?
The canonical SMILES for ethyl 3-chloro-2-(methylamino)benzoate is CCOC(=O)c1cccc(Cl)c1NC.
What is the InChIKey of ethyl 3-chloro-2-(methylamino)benzoate?
The InChIKey is JGPAYXGIFHSOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-14-10(13)7-5-4-6-8(11)9(7)12-2/h4-6,12H,3H2,1-2H3.
What are the key properties of ethyl 3-chloro-2-(methylamino)benzoate?
ethyl 3-chloro-2-(methylamino)benzoate has a molecular weight of 213.66 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-2-(methylamino)benzoate is sourced from PubChem (CID 23093512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).