3-(4-chlorophenyl)benzenecarboximidamide

C13H11ClN2 — CID 6345111

IUPAC3-(4-chlorophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H11ClN2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H3,15,16)
InChIKeyWHUWSXGWSIUKNE-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.29
Rot. Bonds2

About 3-(4-chlorophenyl)benzenecarboximidamide

3-(4-chlorophenyl)benzenecarboximidamide (PubChem CID 6345111) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)benzenecarboximidamide
PubChem CID6345111
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name3-(4-chlorophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H11ClN2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H3,15,16)
InChIKeyWHUWSXGWSIUKNE-UHFFFAOYSA-N
XLogP3.29
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
2-[3-(4-chlorophenyl)phenyl]prop-2-enamide
CID 174399268
4-[5-[5-(4-chlorophenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 164946289
3-(4-chlorophenyl)benzoic acid
CID 2757419
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
4-(3-cyanophenyl)benzenecarboximidamide
CID 6345365
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
ethane;4-phenylbenzenecarboximidamide
CID 91221015
3-sulfanylbenzenecarboximidamide
CID 69159686

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)benzenecarboximidamide?
The IUPAC name of 3-(4-chlorophenyl)benzenecarboximidamide (CID 6345111) is 3-(4-chlorophenyl)benzenecarboximidamide.
What is the SMILES notation for 3-(4-chlorophenyl)benzenecarboximidamide?
The canonical SMILES for 3-(4-chlorophenyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)benzenecarboximidamide?
The InChIKey is WHUWSXGWSIUKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H3,15,16).
What are the key properties of 3-(4-chlorophenyl)benzenecarboximidamide?
3-(4-chlorophenyl)benzenecarboximidamide has a molecular weight of 230.70 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)benzenecarboximidamide is sourced from PubChem (CID 6345111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).