4-chloro-N-methoxy-N-methylbenzamide

C9H10ClNO2 — CID 11275663

IUPAC4-chloro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyLHUOAIXJPPMULP-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.97
Rot. Bonds2

About 4-chloro-N-methoxy-N-methylbenzamide

4-chloro-N-methoxy-N-methylbenzamide (PubChem CID 11275663) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-chloro-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-methoxy-N-methylbenzamide
PubChem CID11275663
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name4-chloro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyLHUOAIXJPPMULP-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-chloro-N-methoxy-N-methylbenzamide (CID 11275663) is 4-chloro-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methoxy-N-methylbenzamide?
The InChIKey is LHUOAIXJPPMULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3.
What are the key properties of 4-chloro-N-methoxy-N-methylbenzamide?
4-chloro-N-methoxy-N-methylbenzamide has a molecular weight of 199.64 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 11275663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).