4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide

C16H17ClN2O — CID 525574

IUPAC4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide
SMILESCOc1cccc(/N=C(/c2ccc(Cl)cc2)N(C)C)c1
InChIInChI=1S/C16H17ClN2O/c1-19(2)16(12-7-9-13(17)10-8-12)18-14-5-4-6-15(11-14)20-3/h4-11H,1-3H3/b18-16-
InChIKeyTUKGELTXLVDVOA-VLGSPTGOSA-N
MW288.78 g/mol
LogP3.99
Rot. Bonds3

About 4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide

4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide (PubChem CID 525574) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide
PubChem CID525574
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide
SMILESCOc1cccc(/N=C(/c2ccc(Cl)cc2)N(C)C)c1
InChIInChI=1S/C16H17ClN2O/c1-19(2)16(12-7-9-13(17)10-8-12)18-14-5-4-6-15(11-14)20-3/h4-11H,1-3H3/b18-16-
InChIKeyTUKGELTXLVDVOA-VLGSPTGOSA-N
XLogP3.99
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of 4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide (CID 525574) is 4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide is COc1cccc(/N=C(/c2ccc(Cl)cc2)N(C)C)c1.
What is the InChIKey of 4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide?
The InChIKey is TUKGELTXLVDVOA-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(2)16(12-7-9-13(17)10-8-12)18-14-5-4-6-15(11-14)20-3/h4-11H,1-3H3/b18-16-.
What are the key properties of 4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide?
4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide has a molecular weight of 288.78 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 525574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).