1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide

C20H18BrN3O2 — CID 55559275

IUPAC1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C20H18BrN3O2/c21-15-5-3-4-14(11-15)20(8-9-20)19(26)24-23-18(25)10-13-12-22-17-7-2-1-6-16(13)17/h1-7,11-12,22H,8-10H2,(H,23,25)(H,24,26)
InChIKeyDGVOINIJDITMEF-UHFFFAOYSA-N
MW412.29 g/mol
LogP3.35
Rot. Bonds4

About 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide

1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide (PubChem CID 55559275) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide
PubChem CID55559275
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C20H18BrN3O2/c21-15-5-3-4-14(11-15)20(8-9-20)19(26)24-23-18(25)10-13-12-22-17-7-2-1-6-16(13)17/h1-7,11-12,22H,8-10H2,(H,23,25)(H,24,26)
InChIKeyDGVOINIJDITMEF-UHFFFAOYSA-N
XLogP3.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-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

N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
1-(3-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 110438172
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 47250258
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
CID 46490653
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N'-[2-(1H-indol-3-yl)acetyl]cyclobutanecarbohydrazide
CID 29437842
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide?
The IUPAC name of 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide (CID 55559275) is 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide?
The InChIKey is DGVOINIJDITMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c21-15-5-3-4-14(11-15)20(8-9-20)19(26)24-23-18(25)10-13-12-22-17-7-2-1-6-16(13)17/h1-7,11-12,22H,8-10H2,(H,23,25)(H,24,26).
What are the key properties of 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide?
1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide has a molecular weight of 412.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-[2-(1H-indol-3-yl)acetyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 55559275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).