2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid

C14H10BrClFNO2 — CID 60993002

IUPAC2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Br)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H10BrClFNO2/c15-8-3-1-4-9(7-8)18-13(14(19)20)12-10(16)5-2-6-11(12)17/h1-7,13,18H,(H,19,20)
InChIKeyYBMAYDWXQWGOHM-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.48
Rot. Bonds4

About 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid

2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid (PubChem CID 60993002) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
PubChem CID60993002
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Br)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H10BrClFNO2/c15-8-3-1-4-9(7-8)18-13(14(19)20)12-10(16)5-2-6-11(12)17/h1-7,13,18H,(H,19,20)
InChIKeyYBMAYDWXQWGOHM-UHFFFAOYSA-N
XLogP4.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81437594
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669
2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid
CID 54890261
2-(2-chloro-6-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 104816539
2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742
2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892847
2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60991180
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
methyl 2-(3-bromoanilino)-2-(2-chlorophenyl)acetate
CID 60727309

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid?
The IUPAC name of 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid (CID 60993002) is 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid is O=C(O)C(Nc1cccc(Br)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid?
The InChIKey is YBMAYDWXQWGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c15-8-3-1-4-9(7-8)18-13(14(19)20)12-10(16)5-2-6-11(12)17/h1-7,13,18H,(H,19,20).
What are the key properties of 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid?
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid has a molecular weight of 358.59 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid is sourced from PubChem (CID 60993002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).