2-(4-bromophenyl)-2-(3-methylanilino)acetic acid

C15H14BrNO2 — CID 54890845

IUPAC2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
SMILESCc1cccc(NC(C(=O)O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO2/c1-10-3-2-4-13(9-10)17-14(15(18)19)11-5-7-12(16)8-6-11/h2-9,14,17H,1H3,(H,18,19)
InChIKeySNVFQNGLSHRZQJ-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.00
Rot. Bonds4

About 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid

2-(4-bromophenyl)-2-(3-methylanilino)acetic acid (PubChem CID 54890845) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
PubChem CID54890845
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
SMILESCc1cccc(NC(C(=O)O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO2/c1-10-3-2-4-13(9-10)17-14(15(18)19)11-5-7-12(16)8-6-11/h2-9,14,17H,1H3,(H,18,19)
InChIKeySNVFQNGLSHRZQJ-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
2-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 65026414
2-(4-bromoanilino)-2-(4-hydroxyphenyl)acetic acid
CID 54890913
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
2-phenyl-2-(3-propan-2-ylanilino)acetic acid
CID 21063795
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 63648624
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid (CID 54890845) is 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid is Cc1cccc(NC(C(=O)O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid?
The InChIKey is SNVFQNGLSHRZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-3-2-4-13(9-10)17-14(15(18)19)11-5-7-12(16)8-6-11/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid?
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid has a molecular weight of 320.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(3-methylanilino)acetic acid is sourced from PubChem (CID 54890845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).