2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid

C15H11Cl2NO3 — CID 43079894

IUPAC2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-10-7-4-8-11(17)12(10)14(19)18-13(15(20)21)9-5-2-1-3-6-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyOIYAPZCGVGAZKT-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.55
Rot. Bonds4

About 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid

2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid (PubChem CID 43079894) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
PubChem CID43079894
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-10-7-4-8-11(17)12(10)14(19)18-13(15(20)21)9-5-2-1-3-6-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyOIYAPZCGVGAZKT-UHFFFAOYSA-N
XLogP3.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 142643393
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
(2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 61143788
2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 71949658
N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide
CID 139505626
2-(2-bromo-6-chloroanilino)-2-phenylacetic acid
CID 174994718

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid (CID 43079894) is 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is OIYAPZCGVGAZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-10-7-4-8-11(17)12(10)14(19)18-13(15(20)21)9-5-2-1-3-6-9/h1-8,13H,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid?
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 324.16 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 43079894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).