N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide

C13H13BrN2O — CID 110688631

IUPACN-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1cccc1
InChIInChI=1S/C13H13BrN2O/c1-10-8-11(14)4-5-12(10)15-13(17)9-16-6-2-3-7-16/h2-8H,9H2,1H3,(H,15,17)
InChIKeyNWTCTPHAHJRBRP-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.20
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide

N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide (PubChem CID 110688631) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide
PubChem CID110688631
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide
SMILESCc1cc(Br)ccc1NC(=O)Cn1cccc1
InChIInChI=1S/C13H13BrN2O/c1-10-8-11(14)4-5-12(10)15-13(17)9-16-6-2-3-7-16/h2-8H,9H2,1H3,(H,15,17)
InChIKeyNWTCTPHAHJRBRP-UHFFFAOYSA-N
XLogP3.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide 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

3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-bromo-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580501
N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 5007859
1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid
CID 112707371
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
N-(4-bromo-2-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908308
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
N-(4-bromo-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
CID 25363542
N-(4-bromo-2-methylphenyl)-3-(N-ethylanilino)propanamide
CID 109036567
N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
N-(4-bromo-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086253

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide (CID 110688631) is N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide is Cc1cc(Br)ccc1NC(=O)Cn1cccc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is NWTCTPHAHJRBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-10-8-11(14)4-5-12(10)15-13(17)9-16-6-2-3-7-16/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide?
N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 293.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 110688631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).