2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid

C15H11BrFNO3 — CID 103841255

IUPAC2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H11BrFNO3/c16-12-8-10(6-7-13(12)17)15(21)18(9-14(19)20)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)
InChIKeyGUVLDTUCMHPRJZ-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.32
Rot. Bonds4

About 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid

2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid (PubChem CID 103841255) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
PubChem CID103841255
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC Name2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H11BrFNO3/c16-12-8-10(6-7-13(12)17)15(21)18(9-14(19)20)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)
InChIKeyGUVLDTUCMHPRJZ-UHFFFAOYSA-N
XLogP3.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid
CID 66463836
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid
CID 60831323
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide
CID 4511439
N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
CID 103707264
2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid
CID 61162239
3-bromo-N-[2-(N-(3-bromo-4-tert-butylbenzoyl)anilino)ethyl]-4-tert-butyl-N-phenylbenzamide
CID 3893381

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid?
The IUPAC name of 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid (CID 103841255) is 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid is O=C(O)CN(C(=O)c1ccc(F)c(Br)c1)c1ccccc1.
What is the InChIKey of 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid?
The InChIKey is GUVLDTUCMHPRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c16-12-8-10(6-7-13(12)17)15(21)18(9-14(19)20)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20).
What are the key properties of 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid?
2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid has a molecular weight of 352.16 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid is sourced from PubChem (CID 103841255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).