N-amino-N-anilino-4-chlorobenzamide;hydrochloride

C13H13Cl2N3O — CID 173408767

IUPACN-amino-N-anilino-4-chlorobenzamide;hydrochloride
SMILESCl.NN(Nc1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O.ClH/c14-11-8-6-10(7-9-11)13(18)17(15)16-12-4-2-1-3-5-12;/h1-9,16H,15H2;1H
InChIKeyQUDUELZIBNMMTJ-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.10
Rot. Bonds3

About N-amino-N-anilino-4-chlorobenzamide;hydrochloride

N-amino-N-anilino-4-chlorobenzamide;hydrochloride (PubChem CID 173408767) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-amino-N-anilino-4-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-amino-N-anilino-4-chlorobenzamide;hydrochloride
PubChem CID173408767
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-amino-N-anilino-4-chlorobenzamide;hydrochloride
SMILESCl.NN(Nc1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O.ClH/c14-11-8-6-10(7-9-11)13(18)17(15)16-12-4-2-1-3-5-12;/h1-9,16H,15H2;1H
InChIKeyQUDUELZIBNMMTJ-UHFFFAOYSA-N
XLogP3.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino(anilino)carbamic acid
CID 151128185
4-chloro-N-nitroso-N-phenylbenzamide
CID 134880089
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-chlorophenyl)-N-hydroxybenzamide
CID 15217
N-tert-butyl-4-chlorobenzohydrazide
CID 15617780
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
1-amino-3-(4-chlorophenyl)-1-phenylurea
CID 174468778
(4-chlorobenzoyl)carbamoyl-phenylcarbamic acid
CID 57361745
4-cyano-N,N'-diphenylbenzohydrazide
CID 11301448

Frequently Asked Questions

What is the IUPAC name of N-amino-N-anilino-4-chlorobenzamide;hydrochloride?
The IUPAC name of N-amino-N-anilino-4-chlorobenzamide;hydrochloride (CID 173408767) is N-amino-N-anilino-4-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-amino-N-anilino-4-chlorobenzamide;hydrochloride?
The canonical SMILES for N-amino-N-anilino-4-chlorobenzamide;hydrochloride is Cl.NN(Nc1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-amino-N-anilino-4-chlorobenzamide;hydrochloride?
The InChIKey is QUDUELZIBNMMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O.ClH/c14-11-8-6-10(7-9-11)13(18)17(15)16-12-4-2-1-3-5-12;/h1-9,16H,15H2;1H.
What are the key properties of N-amino-N-anilino-4-chlorobenzamide;hydrochloride?
N-amino-N-anilino-4-chlorobenzamide;hydrochloride has a molecular weight of 298.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-anilino-4-chlorobenzamide;hydrochloride is sourced from PubChem (CID 173408767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).