N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide

C16H17ClN4O — CID 110918735

IUPACN-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide
SMILESN/C(=N\CCNC(=O)c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C16H17ClN4O/c17-14-9-5-4-8-13(14)15(22)19-10-11-20-16(18)21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)(H3,18,20,21)
InChIKeyLIJMUBMQNAIYGA-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.50
Rot. Bonds5

About N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide

N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide (PubChem CID 110918735) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide
PubChem CID110918735
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC NameN-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide
SMILESN/C(=N\CCNC(=O)c1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C16H17ClN4O/c17-14-9-5-4-8-13(14)15(22)19-10-11-20-16(18)21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)(H3,18,20,21)
InChIKeyLIJMUBMQNAIYGA-UHFFFAOYSA-N
XLogP2.50
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
CID 110918726
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 110925367
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111075611
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 110029755
tert-butyl N-[2-[[amino(anilino)methylidene]amino]ethyl]carbamate;hydroiodide
CID 110916684
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 110914738
2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide
CID 110925966
2-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111043298
2-chloro-N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111043273
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide (CID 110918735) is N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide is N/C(=N\CCNC(=O)c1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide?
The InChIKey is LIJMUBMQNAIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-14-9-5-4-8-13(14)15(22)19-10-11-20-16(18)21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)(H3,18,20,21).
What are the key properties of N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide?
N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide has a molecular weight of 316.79 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide is sourced from PubChem (CID 110918735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).