ethyl 2-(2-chloro-5-methylanilino)acetate

C11H14ClNO2 — CID 103768009

IUPACethyl 2-(2-chloro-5-methylanilino)acetate
SMILESCCOC(=O)CNc1cc(C)ccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-3-15-11(14)7-13-10-6-8(2)4-5-9(10)12/h4-6,13H,3,7H2,1-2H3
InChIKeySYCWPXRMJSHJRL-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.62
Rot. Bonds4

About ethyl 2-(2-chloro-5-methylanilino)acetate

ethyl 2-(2-chloro-5-methylanilino)acetate (PubChem CID 103768009) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 2-(2-chloro-5-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-5-methylanilino)acetate
PubChem CID103768009
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 2-(2-chloro-5-methylanilino)acetate
SMILESCCOC(=O)CNc1cc(C)ccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-3-15-11(14)7-13-10-6-8(2)4-5-9(10)12/h4-6,13H,3,7H2,1-2H3
InChIKeySYCWPXRMJSHJRL-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
CID 107634618
ethyl 2-(2-amino-4-chloro-5-fluoroanilino)acetate
CID 66079161
ethyl 2-[(2-chloro-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 104918215
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645
2-(2-chloro-5-methylanilino)-N-(4-fluorophenyl)acetamide
CID 103768049
6-O-(2-chloro-5-methylphenyl) 1-O-ethyl hexanedioate
CID 91704853
ethyl 2-(2-ethylanilino)acetate
CID 28583397

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-5-methylanilino)acetate?
The IUPAC name of ethyl 2-(2-chloro-5-methylanilino)acetate (CID 103768009) is ethyl 2-(2-chloro-5-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-5-methylanilino)acetate?
The canonical SMILES for ethyl 2-(2-chloro-5-methylanilino)acetate is CCOC(=O)CNc1cc(C)ccc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-5-methylanilino)acetate?
The InChIKey is SYCWPXRMJSHJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-15-11(14)7-13-10-6-8(2)4-5-9(10)12/h4-6,13H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(2-chloro-5-methylanilino)acetate?
ethyl 2-(2-chloro-5-methylanilino)acetate has a molecular weight of 227.69 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-5-methylanilino)acetate is sourced from PubChem (CID 103768009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).