5-chloro-2-methoxy-N-(2-methylpropyl)benzamide

C12H16ClNO2 — CID 874434

IUPAC5-chloro-2-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(C)C
InChIInChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyGSFUSGKNYXRUQM-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide

5-chloro-2-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 874434) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-methylpropyl)benzamide
PubChem CID874434
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name5-chloro-2-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(C)C
InChIInChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyGSFUSGKNYXRUQM-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide (CID 874434) is 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide is COc1ccc(Cl)cc1C(=O)NCC(C)C.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is GSFUSGKNYXRUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide?
5-chloro-2-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 241.72 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 874434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).