3-chloro-N-methoxy-2-methylbenzamide

C9H10ClNO2 — CID 107097630

IUPAC3-chloro-N-methoxy-2-methylbenzamide
SMILESCONC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C9H10ClNO2/c1-6-7(9(12)11-13-2)4-3-5-8(6)10/h3-5H,1-2H3,(H,11,12)
InChIKeyXNZRUCIIQXIIFH-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.94
Rot. Bonds2

About 3-chloro-N-methoxy-2-methylbenzamide

3-chloro-N-methoxy-2-methylbenzamide (PubChem CID 107097630) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 3-chloro-N-methoxy-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-methoxy-2-methylbenzamide
PubChem CID107097630
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name3-chloro-N-methoxy-2-methylbenzamide
SMILESCONC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C9H10ClNO2/c1-6-7(9(12)11-13-2)4-3-5-8(6)10/h3-5H,1-2H3,(H,11,12)
InChIKeyXNZRUCIIQXIIFH-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3-chloro-2-methylbenzoyl)amino]urea
CID 107100350
3-chloro-N-cyano-2-methylbenzamide
CID 107097637
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
2-chloro-6-iodo-N-methoxybenzamide
CID 131106200
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
N-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
(Z)-1-(3-chloro-2-methylphenyl)but-2-en-1-one
CID 146568729
3-chloro-N-(3-iodopropyl)-2-methylbenzamide
CID 107100281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methoxy-2-methylbenzamide?
The IUPAC name of 3-chloro-N-methoxy-2-methylbenzamide (CID 107097630) is 3-chloro-N-methoxy-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-methoxy-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-methoxy-2-methylbenzamide is CONC(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-methoxy-2-methylbenzamide?
The InChIKey is XNZRUCIIQXIIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6-7(9(12)11-13-2)4-3-5-8(6)10/h3-5H,1-2H3,(H,11,12).
What are the key properties of 3-chloro-N-methoxy-2-methylbenzamide?
3-chloro-N-methoxy-2-methylbenzamide has a molecular weight of 199.64 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methoxy-2-methylbenzamide is sourced from PubChem (CID 107097630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).