N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide

C14H12ClFN4 — CID 129203893

IUPACN'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C14H12ClFN4/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H,(H2,17,19)(H2,18,20)
InChIKeyJDPLPBWEVKLMCM-UHFFFAOYSA-N
MW290.73 g/mol
LogP2.50
Rot. Bonds3

About N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide

N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide (PubChem CID 129203893) has the molecular formula C14H12ClFN4 and a molecular weight of 290.73 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide
PubChem CID129203893
Molecular FormulaC14H12ClFN4
Molecular Weight290.73 g/mol
Exact Mass290.07
IUPAC NameN'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C14H12ClFN4/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H,(H2,17,19)(H2,18,20)
InChIKeyJDPLPBWEVKLMCM-UHFFFAOYSA-N
XLogP2.50
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

3,6-Bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 12912717
N-(3-Chloro-benzyl)-4-fluoro-benzamidine
CID 20706461
2-Chlorobenzene-1-carboximidamide
CID 2740918
N-benzyl-4-chlorobenzenecarboximidamide
CID 2806914
N-(2-Chloro-benzyl)-4-trifluoromethyl-benzamidine
CID 44374660
N-(3-Chloro-benzyl)-3-fluoro-benzamidine
CID 20706457
N-(3-Chloro-benzyl)-benzamidine
CID 20706464
2-chloro-N'-hydroxybenzene-1-carboximidamide
CID 3748706
2-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 44374973
2-Chloro-N-(3-fluorophenyl)benzene-1-carboximidamide
CID 211757
2-Chlorobenzene-1-carboximidamide hydrochloride
CID 2740917
2-Chloro-4-fluorobenzamidine
CID 3626359

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide (CID 129203893) is N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide is N/C(=N\N=C(/N)c1ccccc1Cl)c1ccccc1F.
What is the InChIKey of N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide?
The InChIKey is JDPLPBWEVKLMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H,(H2,17,19)(H2,18,20).
What are the key properties of N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide?
N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide has a molecular weight of 290.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 129203893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).