N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide

C17H14BrClN2O2 — CID 134023828

IUPACN'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(Br)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H14BrClN2O2/c18-12-7-5-11(6-8-12)17(9-10-17)16(23)21-20-15(22)13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,20,22)(H,21,23)
InChIKeyQDMSJPULUPGGNL-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.60
Rot. Bonds3

About N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide

N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide (PubChem CID 134023828) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide
PubChem CID134023828
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC NameN'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(Br)cc2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H14BrClN2O2/c18-12-7-5-11(6-8-12)17(9-10-17)16(23)21-20-15(22)13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,20,22)(H,21,23)
InChIKeyQDMSJPULUPGGNL-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide 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-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide
CID 31704429
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide
CID 36575242
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 52555511
1-(4-bromophenyl)cyclopropane-1-carbonyl chloride
CID 86811283
1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide
CID 36658872
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide
CID 74646841
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 36577291
2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821422

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide (CID 134023828) is N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide is O=C(NNC(=O)C1(c2ccc(Br)cc2)CC1)c1ccccc1Cl.
What is the InChIKey of N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide?
The InChIKey is QDMSJPULUPGGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c18-12-7-5-11(6-8-12)17(9-10-17)16(23)21-20-15(22)13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,20,22)(H,21,23).
What are the key properties of N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide?
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide has a molecular weight of 393.67 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide is sourced from PubChem (CID 134023828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).