2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid

C12H15ClN2O3 — CID 54925633

IUPAC2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid
SMILESCN(C)C(=O)CN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-14(2)11(16)7-15(8-12(17)18)10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyWCGOEVNYWBUFBI-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.32
Rot. Bonds5

About 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid

2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid (PubChem CID 54925633) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid
PubChem CID54925633
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid
SMILESCN(C)C(=O)CN(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-14(2)11(16)7-15(8-12(17)18)10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyWCGOEVNYWBUFBI-UHFFFAOYSA-N
XLogP1.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid
CID 60834959
2-[4-chloro-N-(2-methylidenebutyl)anilino]acetic acid
CID 66045975
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-[4-chloro-N-(3-methylbut-3-enyl)anilino]acetic acid
CID 114473132
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817
2-(4-chloro-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60832897
2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid
CID 60834961
2-(4-chloro-N-[3-(methylamino)-3-oxopropyl]anilino)acetic acid
CID 62324660
2-(N-[3-(dimethylamino)-3-oxopropyl]-4-methylanilino)acetic acid
CID 54879046
2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid
CID 65058054
2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid
CID 60839603
2-[4-chloro-N-[(5-methylfuran-2-yl)methyl]anilino]acetic acid
CID 60833533

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid (CID 54925633) is 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid is CN(C)C(=O)CN(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid?
The InChIKey is WCGOEVNYWBUFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-14(2)11(16)7-15(8-12(17)18)10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid?
2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid has a molecular weight of 270.72 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 54925633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).