N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide

C18H12BrN3O — CID 5044744

IUPACN'-benzo[cd]indol-2-yl-4-bromobenzohydrazide
SMILESO=C(NNC1=Nc2cccc3cccc1c23)c1ccc(Br)cc1
InChIInChI=1S/C18H12BrN3O/c19-13-9-7-12(8-10-13)18(23)22-21-17-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,20,21)(H,22,23)
InChIKeyYEGFDPRPLRNQKO-UHFFFAOYSA-N
MW366.22 g/mol
LogP3.93
Rot. Bonds1

About N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide

N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide (PubChem CID 5044744) has the molecular formula C18H12BrN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide.

Molecular Properties

Compound NameN'-benzo[cd]indol-2-yl-4-bromobenzohydrazide
PubChem CID5044744
Molecular FormulaC18H12BrN3O
Molecular Weight366.22 g/mol
Exact Mass365.02
IUPAC NameN'-benzo[cd]indol-2-yl-4-bromobenzohydrazide
SMILESO=C(NNC1=Nc2cccc3cccc1c23)c1ccc(Br)cc1
InChIInChI=1S/C18H12BrN3O/c19-13-9-7-12(8-10-13)18(23)22-21-17-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,20,21)(H,22,23)
InChIKeyYEGFDPRPLRNQKO-UHFFFAOYSA-N
XLogP3.93
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(3,3-dimethyl-4H-isoquinolin-1-yl)benzohydrazide
CID 1095045
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CID 139216238
N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide
CID 36702536
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
4-bromo-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzohydrazide
CID 680764
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
methyl N-[(4-bromobenzoyl)amino]carbamate
CID 54790998
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118

Frequently Asked Questions

What is the IUPAC name of N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide?
The IUPAC name of N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide (CID 5044744) is N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide.
What is the SMILES notation for N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide?
The canonical SMILES for N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide is O=C(NNC1=Nc2cccc3cccc1c23)c1ccc(Br)cc1.
What is the InChIKey of N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide?
The InChIKey is YEGFDPRPLRNQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O/c19-13-9-7-12(8-10-13)18(23)22-21-17-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10H,(H,20,21)(H,22,23).
What are the key properties of N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide?
N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide has a molecular weight of 366.22 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzo[cd]indol-2-yl-4-bromobenzohydrazide is sourced from PubChem (CID 5044744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).