N'-(4-aminophenyl)-2-chlorobenzohydrazide

C13H12ClN3O — CID 21427839

IUPACN'-(4-aminophenyl)-2-chlorobenzohydrazide
SMILESNc1ccc(NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-12-4-2-1-3-11(12)13(18)17-16-10-7-5-9(15)6-8-10/h1-8,16H,15H2,(H,17,18)
InChIKeyVSTKLORCGGNUCA-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.68
Rot. Bonds3

About N'-(4-aminophenyl)-2-chlorobenzohydrazide

N'-(4-aminophenyl)-2-chlorobenzohydrazide (PubChem CID 21427839) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N'-(4-aminophenyl)-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-2-chlorobenzohydrazide
PubChem CID21427839
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN'-(4-aminophenyl)-2-chlorobenzohydrazide
SMILESNc1ccc(NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClN3O/c14-12-4-2-1-3-11(12)13(18)17-16-10-7-5-9(15)6-8-10/h1-8,16H,15H2,(H,17,18)
InChIKeyVSTKLORCGGNUCA-UHFFFAOYSA-N
XLogP2.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-aminophenyl)ethenyl]-2-chlorobenzohydrazide
CID 4255580
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
2-chloro-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 3981550
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
2-chloro-4-fluoro-N'-phenylbenzohydrazide
CID 78774979
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-2-chlorobenzohydrazide?
The IUPAC name of N'-(4-aminophenyl)-2-chlorobenzohydrazide (CID 21427839) is N'-(4-aminophenyl)-2-chlorobenzohydrazide.
What is the SMILES notation for N'-(4-aminophenyl)-2-chlorobenzohydrazide?
The canonical SMILES for N'-(4-aminophenyl)-2-chlorobenzohydrazide is Nc1ccc(NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N'-(4-aminophenyl)-2-chlorobenzohydrazide?
The InChIKey is VSTKLORCGGNUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-12-4-2-1-3-11(12)13(18)17-16-10-7-5-9(15)6-8-10/h1-8,16H,15H2,(H,17,18).
What are the key properties of N'-(4-aminophenyl)-2-chlorobenzohydrazide?
N'-(4-aminophenyl)-2-chlorobenzohydrazide has a molecular weight of 261.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-2-chlorobenzohydrazide is sourced from PubChem (CID 21427839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).