4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide

C16H16ClFN2 — CID 144678364

IUPAC4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide
SMILESCc1ccc(C/N=C(\N)c2ccc(Cl)c(CF)c2)cc1
InChIInChI=1S/C16H16ClFN2/c1-11-2-4-12(5-3-11)10-20-16(19)13-6-7-15(17)14(8-13)9-18/h2-8H,9-10H2,1H3,(H2,19,20)
InChIKeyQTMAUEOMHBFZJC-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.02
Rot. Bonds4

About 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide

4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide (PubChem CID 144678364) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide
PubChem CID144678364
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide
SMILESCc1ccc(C/N=C(\N)c2ccc(Cl)c(CF)c2)cc1
InChIInChI=1S/C16H16ClFN2/c1-11-2-4-12(5-3-11)10-20-16(19)13-6-7-15(17)14(8-13)9-18/h2-8H,9-10H2,1H3,(H2,19,20)
InChIKeyQTMAUEOMHBFZJC-UHFFFAOYSA-N
XLogP4.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N'-[(2-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9900121
(E)-N'-benzyl-3-(2-chlorophenyl)prop-2-enimidamide
CID 9814060
(E)-N'-[(4-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9921582
(E)-N'-benzyl-3-(4-chlorophenyl)prop-2-enimidamide
CID 9921583
4-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 20706433
N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide
CID 20706437
N-(3-Chloro-benzyl)-4-fluoro-benzamidine
CID 20706461
N-benzyl-4-chlorobenzenecarboximidamide
CID 2806914
4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride
CID 2945295
N-(3,5-Dimethyl-benzyl)-4-trifluoromethyl-benzamidine
CID 44374616
N-(3-Chloro-benzyl)-4-trifluoromethyl-benzamidine
CID 44374627
N-(2-Chloro-benzyl)-4-trifluoromethyl-benzamidine
CID 44374660

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide?
The IUPAC name of 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide (CID 144678364) is 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide is Cc1ccc(C/N=C(\N)c2ccc(Cl)c(CF)c2)cc1.
What is the InChIKey of 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide?
The InChIKey is QTMAUEOMHBFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c1-11-2-4-12(5-3-11)10-20-16(19)13-6-7-15(17)14(8-13)9-18/h2-8H,9-10H2,1H3,(H2,19,20).
What are the key properties of 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide?
4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide has a molecular weight of 290.77 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(fluoromethyl)-N'-[(4-methylphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 144678364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).