4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide

C16H17ClN2 — CID 175456704

IUPAC4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C)c(Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2/c1-11-8-14(16(18)19-2)15(17)10-13(11)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H2,18,19)
InChIKeyYIMWMNYFPDYMFC-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.57
Rot. Bonds3

About 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide

4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide (PubChem CID 175456704) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide
PubChem CID175456704
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C)c(Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2/c1-11-8-14(16(18)19-2)15(17)10-13(11)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H2,18,19)
InChIKeyYIMWMNYFPDYMFC-UHFFFAOYSA-N
XLogP3.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.57
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 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide?
The IUPAC name of 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide (CID 175456704) is 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide is C/N=C(\N)c1cc(C)c(Cc2ccccc2)cc1Cl.
What is the InChIKey of 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide?
The InChIKey is YIMWMNYFPDYMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-11-8-14(16(18)19-2)15(17)10-13(11)9-12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H2,18,19).
What are the key properties of 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide?
4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide has a molecular weight of 272.78 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 175456704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).