2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid

C15H13Br2NO2 — CID 103236812

IUPAC2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid
SMILESCc1cc(Br)c(NC(C(=O)O)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9-7-11(16)14(12(17)8-9)18-13(15(19)20)10-5-3-2-4-6-10/h2-8,13,18H,1H3,(H,19,20)
InChIKeyNEVDQLKIKGJFDA-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.76
Rot. Bonds4

About 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid

2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid (PubChem CID 103236812) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid
PubChem CID103236812
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid
SMILESCc1cc(Br)c(NC(C(=O)O)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9-7-11(16)14(12(17)8-9)18-13(15(19)20)10-5-3-2-4-6-10/h2-8,13,18H,1H3,(H,19,20)
InChIKeyNEVDQLKIKGJFDA-UHFFFAOYSA-N
XLogP4.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylanilino)-2-phenylacetic acid
CID 103231663
2-(4-methyl-2,6-dinitroanilino)-2-phenylacetic acid
CID 3781177
2-(2-bromo-6-chloroanilino)-2-phenylacetic acid
CID 174994718
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 174705607

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid?
The IUPAC name of 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid (CID 103236812) is 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid is Cc1cc(Br)c(NC(C(=O)O)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid?
The InChIKey is NEVDQLKIKGJFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9-7-11(16)14(12(17)8-9)18-13(15(19)20)10-5-3-2-4-6-10/h2-8,13,18H,1H3,(H,19,20).
What are the key properties of 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid?
2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid has a molecular weight of 399.08 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylanilino)-2-phenylacetic acid is sourced from PubChem (CID 103236812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).