2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid

C12H13Cl2NO3 — CID 63702733

IUPAC2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2NO3/c1-3-15(7(2)16)11(12(17)18)8-4-9(13)6-10(14)5-8/h4-6,11H,3H2,1-2H3,(H,17,18)
InChIKeyQQAQXAOJVPOBBZ-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.99
Rot. Bonds4

About 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid

2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid (PubChem CID 63702733) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid
PubChem CID63702733
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2NO3/c1-3-15(7(2)16)11(12(17)18)8-4-9(13)6-10(14)5-8/h4-6,11H,3H2,1-2H3,(H,17,18)
InChIKeyQQAQXAOJVPOBBZ-UHFFFAOYSA-N
XLogP2.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
CID 54919956
2-[acetyl(ethyl)amino]-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 115350944
2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
CID 63702725
2-[acetyl(ethyl)amino]-2-(7-bromo-1,3-benzodioxol-5-yl)acetic acid
CID 63702446
2-[acetyl(ethyl)amino]-2-(2,5-difluorophenyl)acetic acid
CID 63701423
2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
CID 103569944
2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 63702731
2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
CID 63701701
2-(3,5-dichlorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 55234208
2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 63702713
2-[acetyl(propyl)amino]-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid
CID 63704011
2-[acetyl(ethyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104773

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid (CID 63702733) is 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid is CCN(C(C)=O)C(C(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid?
The InChIKey is QQAQXAOJVPOBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-3-15(7(2)16)11(12(17)18)8-4-9(13)6-10(14)5-8/h4-6,11H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid?
2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid has a molecular weight of 290.15 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid is sourced from PubChem (CID 63702733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).