2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid

C12H15Cl2NO2 — CID 54919956

IUPAC2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
SMILESCCN(CC)C(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-15(4-2)11(12(16)17)8-5-9(13)7-10(14)6-8/h5-7,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyYKHFLQBWVXGMAP-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.46
Rot. Bonds5

About 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid

2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid (PubChem CID 54919956) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
PubChem CID54919956
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
SMILESCCN(CC)C(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-15(4-2)11(12(16)17)8-5-9(13)7-10(14)6-8/h5-7,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyYKHFLQBWVXGMAP-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid
CID 63702733
2-(3-chloro-4-fluorophenyl)-2-(diethylamino)acetic acid
CID 81154831
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(diethylamino)acetic acid
CID 43803679
2-(3,5-dichlorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 55234208
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84749017
2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide
CID 71916380
2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid
CID 43803709
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid
CID 125045090
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid (CID 54919956) is 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid is CCN(CC)C(C(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid?
The InChIKey is YKHFLQBWVXGMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-3-15(4-2)11(12(16)17)8-5-9(13)7-10(14)6-8/h5-7,11H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid?
2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid has a molecular weight of 276.16 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid is sourced from PubChem (CID 54919956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).