N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide

C13H11Cl2N3 — CID 61362161

IUPACN-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide
SMILESNN/C(=N\c1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2N3/c14-11-8-4-7-10(12(11)15)13(18-16)17-9-5-2-1-3-6-9/h1-8H,16H2,(H,17,18)
InChIKeyWIINPZZYFOQOCB-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.54
Rot. Bonds2

About N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide

N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide (PubChem CID 61362161) has the molecular formula C13H11Cl2N3 and a molecular weight of 280.16 g/mol. Its IUPAC name is N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide
PubChem CID61362161
Molecular FormulaC13H11Cl2N3
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC NameN-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide
SMILESNN/C(=N\c1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2N3/c14-11-8-4-7-10(12(11)15)13(18-16)17-9-5-2-1-3-6-9/h1-8H,16H2,(H,17,18)
InChIKeyWIINPZZYFOQOCB-UHFFFAOYSA-N
XLogP3.54
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-2,3-dichloro-N'-propan-2-ylbenzenecarboximidamide
CID 61361489
N-amino-2-chloro-N'-phenylfuran-3-carboximidamide
CID 106689536
N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide
CID 61360486
N-amino-3-bromo-2-fluoro-N'-phenylbenzenecarboximidamide
CID 107957920
N-amino-2-methylsulfanyl-N'-phenylbenzenecarboximidamide
CID 79206306
2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide
CID 11392192
N-amino-4-bromo-3-chloro-N'-phenylbenzenecarboximidamide
CID 81308007
N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide
CID 19847843
N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide
CID 61361144
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461
1-amino-2-(2,3-dichlorophenyl)-3-phenylguanidine
CID 116512617
N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide
CID 65100296

Frequently Asked Questions

What is the IUPAC name of N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide?
The IUPAC name of N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide (CID 61362161) is N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide?
The canonical SMILES for N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide is NN/C(=N\c1ccccc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide?
The InChIKey is WIINPZZYFOQOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3/c14-11-8-4-7-10(12(11)15)13(18-16)17-9-5-2-1-3-6-9/h1-8H,16H2,(H,17,18).
What are the key properties of N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide?
N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide has a molecular weight of 280.16 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,3-dichloro-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 61362161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).