4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide

C18H19BrN4O2 — CID 27036776

IUPAC4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19BrN4O2/c1-23-11-13(19)9-16(23)18(25)22-21-17(24)8-4-5-12-10-20-15-7-3-2-6-14(12)15/h2-3,6-7,9-11,20H,4-5,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyQPVDFAAYKGKKFH-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.05
Rot. Bonds5

About 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 27036776) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID27036776
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19BrN4O2/c1-23-11-13(19)9-16(23)18(25)22-21-17(24)8-4-5-12-10-20-15-7-3-2-6-14(12)15/h2-3,6-7,9-11,20H,4-5,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyQPVDFAAYKGKKFH-UHFFFAOYSA-N
XLogP3.05
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide 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

4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2580288
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26873945
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
4-[4-(1H-indol-3-yl)butanoylamino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408905
4-(1H-indol-3-yl)butanamide
CID 588715
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide (CID 27036776) is 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is QPVDFAAYKGKKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c1-23-11-13(19)9-16(23)18(25)22-21-17(24)8-4-5-12-10-20-15-7-3-2-6-14(12)15/h2-3,6-7,9-11,20H,4-5,8H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 403.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 27036776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).