N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide

C21H25ClN2 — CID 3135533

IUPACN-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(=N\C2CCCCC2)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C21H25ClN2/c1-15-7-6-8-17(13-15)21(23-18-9-4-3-5-10-18)24-19-12-11-16(2)20(22)14-19/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,23,24)
InChIKeyUSSRDSJJYHOVAN-UHFFFAOYSA-N
MW340.90 g/mol
LogP6.15
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide

N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide (PubChem CID 3135533) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide
PubChem CID3135533
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(=N\C2CCCCC2)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C21H25ClN2/c1-15-7-6-8-17(13-15)21(23-18-9-4-3-5-10-18)24-19-12-11-16(2)20(22)14-19/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,23,24)
InChIKeyUSSRDSJJYHOVAN-UHFFFAOYSA-N
XLogP6.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.90
LogP ≤ 56.15
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide (CID 3135533) is N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide is Cc1cccc(/C(=N\C2CCCCC2)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide?
The InChIKey is USSRDSJJYHOVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2/c1-15-7-6-8-17(13-15)21(23-18-9-4-3-5-10-18)24-19-12-11-16(2)20(22)14-19/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide?
N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide has a molecular weight of 340.90 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-cyclohexyl-3-methylbenzenecarboximidamide is sourced from PubChem (CID 3135533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).