2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid

C11H11Cl2NO3 — CID 21387795

IUPAC2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid
SMILESCCC(=O)NC(Cl)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H11Cl2NO3/c1-2-9(15)14-11(13,10(16)17)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyNCNCTKXXBZSTME-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.34
Rot. Bonds4

About 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid

2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid (PubChem CID 21387795) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid.

Molecular Properties

Compound Name2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid
PubChem CID21387795
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid
SMILESCCC(=O)NC(Cl)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H11Cl2NO3/c1-2-9(15)14-11(13,10(16)17)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyNCNCTKXXBZSTME-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
3-(3-chlorophenyl)-3-hydroxy-2,2-dimethylpentanoic acid
CID 62396288
2-(3-chlorophenyl)-2-(propylamino)butanoic acid
CID 43754042
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid
CID 61024537
3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 55232397
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid?
The IUPAC name of 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid (CID 21387795) is 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid.
What is the SMILES notation for 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid?
The canonical SMILES for 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid is CCC(=O)NC(Cl)(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid?
The InChIKey is NCNCTKXXBZSTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-2-9(15)14-11(13,10(16)17)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid?
2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid has a molecular weight of 276.12 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid is sourced from PubChem (CID 21387795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).