2-chloro-N-methyl-N-phenylbenzenecarboximidamide

C14H13ClN2 — CID 135071791

IUPAC2-chloro-N-methyl-N-phenylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1Cl)N(C)c1ccccc1
InChIInChI=1S/C14H13ClN2/c1-17(11-7-3-2-4-8-11)14(16)12-9-5-6-10-13(12)15/h2-10,16H,1H3/b16-14+
InChIKeyGIKHHHMMBXNLCD-JQIJEIRASA-N
MW244.73 g/mol
LogP3.80
Rot. Bonds2

About 2-chloro-N-methyl-N-phenylbenzenecarboximidamide

2-chloro-N-methyl-N-phenylbenzenecarboximidamide (PubChem CID 135071791) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-phenylbenzenecarboximidamide
PubChem CID135071791
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name2-chloro-N-methyl-N-phenylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1Cl)N(C)c1ccccc1
InChIInChI=1S/C14H13ClN2/c1-17(11-7-3-2-4-8-11)14(16)12-9-5-6-10-13(12)15/h2-10,16H,1H3/b16-14+
InChIKeyGIKHHHMMBXNLCD-JQIJEIRASA-N
XLogP3.80
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.80
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 2-chloro-N-methyl-N-phenylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N-methyl-N-phenylbenzenecarboximidamide (CID 135071791) is 2-chloro-N-methyl-N-phenylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N-methyl-N-phenylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N-methyl-N-phenylbenzenecarboximidamide is [H]/N=C(\c1ccccc1Cl)N(C)c1ccccc1.
What is the InChIKey of 2-chloro-N-methyl-N-phenylbenzenecarboximidamide?
The InChIKey is GIKHHHMMBXNLCD-JQIJEIRASA-N. The full InChI is InChI=1S/C14H13ClN2/c1-17(11-7-3-2-4-8-11)14(16)12-9-5-6-10-13(12)15/h2-10,16H,1H3/b16-14+.
What are the key properties of 2-chloro-N-methyl-N-phenylbenzenecarboximidamide?
2-chloro-N-methyl-N-phenylbenzenecarboximidamide has a molecular weight of 244.73 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 135071791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).