2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid

C11H13ClN2O3 — CID 55079550

IUPAC2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid
SMILESCCN(CC(=O)O)c1cccc(Cl)c1C(N)=O
InChIInChI=1S/C11H13ClN2O3/c1-2-14(6-9(15)16)8-5-3-4-7(12)10(8)11(13)17/h3-5H,2,6H2,1H3,(H2,13,17)(H,15,16)
InChIKeyRRUKRHJHISCLPW-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.35
Rot. Bonds5

About 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid

2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid (PubChem CID 55079550) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid
PubChem CID55079550
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid
SMILESCCN(CC(=O)O)c1cccc(Cl)c1C(N)=O
InChIInChI=1S/C11H13ClN2O3/c1-2-14(6-9(15)16)8-5-3-4-7(12)10(8)11(13)17/h3-5H,2,6H2,1H3,(H2,13,17)(H,15,16)
InChIKeyRRUKRHJHISCLPW-UHFFFAOYSA-N
XLogP1.35
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carbamoyl-3-chloro-N-prop-2-ynylanilino)acetic acid
CID 79273233
2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
ethyl 2-(2-carbamothioyl-3-chloro-N-ethylanilino)acetate
CID 62496013
2-(3-bromo-2-carbamoyl-N-propylanilino)acetic acid
CID 114880081
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
4-(2-carbamoyl-3-chloro-N-methylanilino)butanoic acid
CID 62502073
2-(3-chloro-2-cyano-N-ethylanilino)acetamide
CID 103102393
2-[3-bromo-2-carbamoyl-N-(2-methylpropyl)anilino]acetic acid
CID 114880155
2,6-dichlorobenzamide;hydrochloride
CID 172775002
2-[butyl(ethyl)amino]-6-chlorobenzenecarbothioamide
CID 62500932
2-(2-carbamothioyl-3-chloro-N-propylanilino)-N-methylacetamide
CID 62496849
2-(3-chloro-2-nitro-N-propylanilino)acetic acid
CID 104835130

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid?
The IUPAC name of 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid (CID 55079550) is 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid.
What is the SMILES notation for 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid?
The canonical SMILES for 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid is CCN(CC(=O)O)c1cccc(Cl)c1C(N)=O.
What is the InChIKey of 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid?
The InChIKey is RRUKRHJHISCLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-2-14(6-9(15)16)8-5-3-4-7(12)10(8)11(13)17/h3-5H,2,6H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid?
2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid has a molecular weight of 256.69 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid is sourced from PubChem (CID 55079550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).