2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid

C14H11BrClNO2 — CID 54890320

IUPAC2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO2/c15-10-3-1-9(2-4-10)13(14(18)19)17-12-7-5-11(16)6-8-12/h1-8,13,17H,(H,18,19)
InChIKeyWMQZGOONMDINLO-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.34
Rot. Bonds4

About 2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid

2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid (PubChem CID 54890320) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
PubChem CID54890320
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO2/c15-10-3-1-9(2-4-10)13(14(18)19)17-12-7-5-11(16)6-8-12/h1-8,13,17H,(H,18,19)
InChIKeyWMQZGOONMDINLO-UHFFFAOYSA-N
XLogP4.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoanilino)-2-(4-hydroxyphenyl)acetic acid
CID 54890913
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(4-chloroanilino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115524530
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 63648624
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348
2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992095
(2S)-2-anilino-2-(4-chlorophenyl)acetate
CID 7148177
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
CID 54890414

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid (CID 54890320) is 2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid is O=C(O)C(Nc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid?
The InChIKey is WMQZGOONMDINLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-10-3-1-9(2-4-10)13(14(18)19)17-12-7-5-11(16)6-8-12/h1-8,13,17H,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid?
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid has a molecular weight of 340.60 g/mol, XLogP of 4.34, 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-(4-chloroanilino)acetic acid is sourced from PubChem (CID 54890320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).