2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid

C15H13BrN2O3 — CID 107338937

IUPAC2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H13BrN2O3/c16-11-3-1-10(2-4-11)7-14(19)18-13-6-5-12(17-9-13)8-15(20)21/h1-6,9H,7-8H2,(H,18,19)(H,20,21)
InChIKeyPFYWWPGZCIDFQH-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.65
Rot. Bonds5

About 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid

2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid (PubChem CID 107338937) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
PubChem CID107338937
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H13BrN2O3/c16-11-3-1-10(2-4-11)7-14(19)18-13-6-5-12(17-9-13)8-15(20)21/h1-6,9H,7-8H2,(H,18,19)(H,20,21)
InChIKeyPFYWWPGZCIDFQH-UHFFFAOYSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 103789943
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107339387
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide
CID 113016501
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-(4-bromophenyl)-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 113015729
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338762
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid (CID 107338937) is 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cn1.
What is the InChIKey of 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid?
The InChIKey is PFYWWPGZCIDFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-11-3-1-10(2-4-11)7-14(19)18-13-6-5-12(17-9-13)8-15(20)21/h1-6,9H,7-8H2,(H,18,19)(H,20,21).
What are the key properties of 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid?
2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid has a molecular weight of 349.18 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).