2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid

C16H12Cl3NO3 — CID 155964162

IUPAC2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid
SMILESO=C(Cc1cccc(Cl)c1)NC(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO3/c17-10-3-1-2-9(6-10)7-14(21)20-15(16(22)23)12-5-4-11(18)8-13(12)19/h1-6,8,15H,7H2,(H,20,21)(H,22,23)
InChIKeyGSKDVLHLVGUEAC-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.13
Rot. Bonds5

About 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid

2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid (PubChem CID 155964162) has the molecular formula C16H12Cl3NO3 and a molecular weight of 372.64 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid
PubChem CID155964162
Molecular FormulaC16H12Cl3NO3
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC Name2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid
SMILESO=C(Cc1cccc(Cl)c1)NC(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO3/c17-10-3-1-2-9(6-10)7-14(21)20-15(16(22)23)12-5-4-11(18)8-13(12)19/h1-6,8,15H,7H2,(H,20,21)(H,22,23)
InChIKeyGSKDVLHLVGUEAC-UHFFFAOYSA-N
XLogP4.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62503567
(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
CID 53340951
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid
CID 60794211
2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide
CID 99783550
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetic acid
CID 43754588
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetic acid
CID 84746817

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid?
The IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid (CID 155964162) is 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid?
The canonical SMILES for 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid is O=C(Cc1cccc(Cl)c1)NC(C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid?
The InChIKey is GSKDVLHLVGUEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO3/c17-10-3-1-2-9(6-10)7-14(21)20-15(16(22)23)12-5-4-11(18)8-13(12)19/h1-6,8,15H,7H2,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid?
2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid has a molecular weight of 372.64 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)acetyl]amino]-2-(2,4-dichlorophenyl)acetic acid is sourced from PubChem (CID 155964162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).