2-(4-chloro-N-ethyl-2-methylanilino)acetic acid

C11H14ClNO2 — CID 83560488

IUPAC2-(4-chloro-N-ethyl-2-methylanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClNO2/c1-3-13(7-11(14)15)10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyQFAGBCYFZRNMFG-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid

2-(4-chloro-N-ethyl-2-methylanilino)acetic acid (PubChem CID 83560488) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-ethyl-2-methylanilino)acetic acid
PubChem CID83560488
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(4-chloro-N-ethyl-2-methylanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClNO2/c1-3-13(7-11(14)15)10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyQFAGBCYFZRNMFG-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N,N-diethyl-2-methylaniline
CID 57028815
2-(4-chloro-N-ethyl-2-nitroanilino)acetic acid
CID 54900140
N-(4-chloro-2-methylphenyl)-N-ethylcarbamate
CID 57352737
2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid
CID 175473181
2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid
CID 117013506
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 55244982
2-(2-chloro-N-ethyl-4-nitroanilino)acetic acid
CID 54949262
4-chloro-N,N-bis(2-chloroethyl)-2-methylaniline
CID 98591830
(E)-3-[5-chloro-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]phenyl]prop-2-enoic acid
CID 114858301
4-chloro-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 114845016
2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide
CID 114844095

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid (CID 83560488) is 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid is CCN(CC(=O)O)c1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid?
The InChIKey is QFAGBCYFZRNMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-13(7-11(14)15)10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid?
2-(4-chloro-N-ethyl-2-methylanilino)acetic acid has a molecular weight of 227.69 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-ethyl-2-methylanilino)acetic acid is sourced from PubChem (CID 83560488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).