N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride

C15H18ClN3O — CID 68696600

IUPACN'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride
SMILESCN(C(=O)c1ccccc1)N(C)c1ccc(N)cc1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-17(14-10-8-13(16)9-11-14)18(2)15(19)12-6-4-3-5-7-12;/h3-11H,16H2,1-2H3;1H
InChIKeyHOWOLYKMOPKUPV-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.81
Rot. Bonds3

About N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride

N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride (PubChem CID 68696600) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride
PubChem CID68696600
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride
SMILESCN(C(=O)c1ccccc1)N(C)c1ccc(N)cc1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-17(14-10-8-13(16)9-11-14)18(2)15(19)12-6-4-3-5-7-12;/h3-11H,16H2,1-2H3;1H
InChIKeyHOWOLYKMOPKUPV-UHFFFAOYSA-N
XLogP2.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
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

4-amino-N-methyl-N-phenylbenzamide
CID 4306081
N-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90105203
1-methyl-1-(N-methylanilino)urea
CID 154254582
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
CID 173432275
CID 173432275
(4-aminophenyl)-phenylmethanone
CID 14346
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride?
The IUPAC name of N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride (CID 68696600) is N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride.
What is the SMILES notation for N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride?
The canonical SMILES for N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride is CN(C(=O)c1ccccc1)N(C)c1ccc(N)cc1.Cl.
What is the InChIKey of N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride?
The InChIKey is HOWOLYKMOPKUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-17(14-10-8-13(16)9-11-14)18(2)15(19)12-6-4-3-5-7-12;/h3-11H,16H2,1-2H3;1H.
What are the key properties of N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride?
N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride is sourced from PubChem (CID 68696600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).