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

C10H11Cl2N3 — CID 61360486

IUPACN-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide
SMILESNN/C(=N\C1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N3/c11-8-3-1-2-7(9(8)12)10(15-13)14-6-4-5-6/h1-3,6H,4-5,13H2,(H,14,15)
InChIKeyMHZIMQHNZCXYGH-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.37
Rot. Bonds2

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

N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide (PubChem CID 61360486) has the molecular formula C10H11Cl2N3 and a molecular weight of 244.12 g/mol. Its IUPAC name is N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide
PubChem CID61360486
Molecular FormulaC10H11Cl2N3
Molecular Weight244.12 g/mol
Exact Mass243.03
IUPAC NameN-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide
SMILESNN/C(=N\C1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N3/c11-8-3-1-2-7(9(8)12)10(15-13)14-6-4-5-6/h1-3,6H,4-5,13H2,(H,14,15)
InChIKeyMHZIMQHNZCXYGH-UHFFFAOYSA-N
XLogP2.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.37
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

5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1H-tetrazole
CID 19361814
N-amino-2-chloro-N'-ethyl-6-fluorobenzenecarboximidamide
CID 61360449
N-amino-5-chloro-N'-ethyl-2-fluorobenzenecarboximidamide
CID 61360654
N-amino-2-chloro-4-fluoro-N'-methylbenzenecarboximidamide
CID 61360851
N-amino-2-chloro-4-fluoro-N'-propylbenzenecarboximidamide
CID 61360872
N-amino-2-chloro-6-fluoro-N'-propan-2-ylbenzenecarboximidamide
CID 61361072
N-amino-2-chloro-N'-cyclopentyl-4-fluorobenzenecarboximidamide
CID 61361109
N-amino-5-chloro-2-fluoro-N'-propan-2-ylbenzenecarboximidamide
CID 61361283
N-amino-4-chloro-N'-cyclopropyl-2-fluorobenzenecarboximidamide
CID 61361298
N-amino-2-chloro-N'-cycloheptyl-4-fluorobenzenecarboximidamide
CID 61361338
N-amino-2-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide
CID 61361741
N-amino-2-chloro-N'-cyclopentyl-6-fluorobenzenecarboximidamide
CID 61361926

Frequently Asked Questions

What is the IUPAC name of N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide?
The IUPAC name of N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide (CID 61360486) is N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide?
The canonical SMILES for N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide is NN/C(=N\C1CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide?
The InChIKey is MHZIMQHNZCXYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3/c11-8-3-1-2-7(9(8)12)10(15-13)14-6-4-5-6/h1-3,6H,4-5,13H2,(H,14,15).
What are the key properties of N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide?
N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide has a molecular weight of 244.12 g/mol, XLogP of 2.37, 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'-cyclopropylbenzenecarboximidamide is sourced from PubChem (CID 61360486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).