N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide

C15H14ClN3O — CID 4255580

IUPACN'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide
SMILESC=C(NNC(=O)c1ccccc1Cl)c1ccc(N)cc1
InChIInChI=1S/C15H14ClN3O/c1-10(11-6-8-12(17)9-7-11)18-19-15(20)13-4-2-3-5-14(13)16/h2-9,18H,1,17H2,(H,19,20)
InChIKeyLWIMZUDUEDQGHG-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.83
Rot. Bonds4

About N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide

N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide (PubChem CID 4255580) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide
PubChem CID4255580
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide
SMILESC=C(NNC(=O)c1ccccc1Cl)c1ccc(N)cc1
InChIInChI=1S/C15H14ClN3O/c1-10(11-6-8-12(17)9-7-11)18-19-15(20)13-4-2-3-5-14(13)16/h2-9,18H,1,17H2,(H,19,20)
InChIKeyLWIMZUDUEDQGHG-UHFFFAOYSA-N
XLogP2.83
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-aminophenyl)-2-chlorobenzohydrazide
CID 21427839
2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide
CID 4158254
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 35932014
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
CID 9067593
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
CID 4508937
2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
CID 4927487
N'-[1-(4-chlorophenyl)ethenyl]-4-hydroxybenzohydrazide
CID 2456682

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide (CID 4255580) is N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide is C=C(NNC(=O)c1ccccc1Cl)c1ccc(N)cc1.
What is the InChIKey of N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide?
The InChIKey is LWIMZUDUEDQGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-10(11-6-8-12(17)9-7-11)18-19-15(20)13-4-2-3-5-14(13)16/h2-9,18H,1,17H2,(H,19,20).
What are the key properties of N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide?
N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide has a molecular weight of 287.75 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide is sourced from PubChem (CID 4255580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).