2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid

C14H10BrCl2NO2 — CID 18546331

IUPAC2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid
SMILESO=C(O)C(Nc1c(Cl)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H10BrCl2NO2/c15-9-5-2-1-4-8(9)12(14(19)20)18-13-10(16)6-3-7-11(13)17/h1-7,12,18H,(H,19,20)
InChIKeyCCCXZADBZLMHGL-UHFFFAOYSA-N
MW375.05 g/mol
LogP4.99
Rot. Bonds4

About 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid

2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid (PubChem CID 18546331) has the molecular formula C14H10BrCl2NO2 and a molecular weight of 375.05 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid
PubChem CID18546331
Molecular FormulaC14H10BrCl2NO2
Molecular Weight375.05 g/mol
Exact Mass372.93
IUPAC Name2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid
SMILESO=C(O)C(Nc1c(Cl)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H10BrCl2NO2/c15-9-5-2-1-4-8(9)12(14(19)20)18-13-10(16)6-3-7-11(13)17/h1-7,12,18H,(H,19,20)
InChIKeyCCCXZADBZLMHGL-UHFFFAOYSA-N
XLogP4.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.05
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-chloroanilino)-2-phenylacetic acid
CID 174994718
N-(2-bromo-6-chlorophenyl)benzamide
CID 13226852
2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
CID 54890414
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892942
2-bromo-6-chloro-N-phenylaniline
CID 14369715
(2S)-2-(2,6-dichloroanilino)-3-methylbutanoic acid
CID 54414123
2-(2-bromoanilino)-2-(2-chlorophenyl)acetamide
CID 54892077
2-(2-bromophenyl)-2-(butylamino)acetic acid
CID 84747018
(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
CID 94479863
(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 95858564
2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 5127524

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid?
The IUPAC name of 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid (CID 18546331) is 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid.
What is the SMILES notation for 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid?
The canonical SMILES for 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid is O=C(O)C(Nc1c(Cl)cccc1Cl)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid?
The InChIKey is CCCXZADBZLMHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO2/c15-9-5-2-1-4-8(9)12(14(19)20)18-13-10(16)6-3-7-11(13)17/h1-7,12,18H,(H,19,20).
What are the key properties of 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid?
2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid has a molecular weight of 375.05 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(2,6-dichloroanilino)acetic acid is sourced from PubChem (CID 18546331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).