2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide

C16H16ClFN2 — CID 153326155

IUPAC2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C)c(Cc2cccc(F)c2)cc1Cl
InChIInChI=1S/C16H16ClFN2/c1-10-6-14(16(19)20-2)15(17)9-12(10)7-11-4-3-5-13(18)8-11/h3-6,8-9H,7H2,1-2H3,(H2,19,20)
InChIKeySLTBFVDLOZKAKN-UHFFFAOYSA-N
MW290.77 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide

2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide (PubChem CID 153326155) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide
PubChem CID153326155
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C)c(Cc2cccc(F)c2)cc1Cl
InChIInChI=1S/C16H16ClFN2/c1-10-6-14(16(19)20-2)15(17)9-12(10)7-11-4-3-5-13(18)8-11/h3-6,8-9H,7H2,1-2H3,(H2,19,20)
InChIKeySLTBFVDLOZKAKN-UHFFFAOYSA-N
XLogP3.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.71
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'}

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Related Compounds

N'-[(2-chlorophenyl)methyl]naphthalene-2-carboximidamide
CID 20706437
N'-[(3-chlorophenyl)methyl]naphthalene-2-carboximidamide
CID 20706466
8-Chloro-3-(4-fluoro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 18785885
N'-[2-(2-chlorophenyl)ethyl]naphthalene-2-carboximidamide;hydrochloride
CID 44531350
6-Chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide
CID 20595161
7-Chloro-6-fluoro-3-methylnaphthalene-2-carboximidamide
CID 20595196
3-(1-Aminoethyl)-5-chloro-2-(3-fluorophenyl)-6-methylbenzenecarboximidamide
CID 88585274
5-Chloro-7-fluoro-3-methyl-3-(3-methylphenyl)isoindol-1-amine
CID 90690146
1-[5-Chloro-2-(3-fluorophenyl)-3,4-dimethylphenyl]ethanamine
CID 118423218
4-chloro-3-(1,1-difluoroethyl)-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]benzenecarboximidamide
CID 123759098
N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide
CID 129203777
N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide
CID 129203895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide?
The IUPAC name of 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide (CID 153326155) is 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide is C/N=C(\N)c1cc(C)c(Cc2cccc(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide?
The InChIKey is SLTBFVDLOZKAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c1-10-6-14(16(19)20-2)15(17)9-12(10)7-11-4-3-5-13(18)8-11/h3-6,8-9H,7H2,1-2H3,(H2,19,20).
What are the key properties of 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide?
2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide has a molecular weight of 290.77 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 153326155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).