4-(3-chloropropoxy)-2-methylbenzamide

C11H14ClNO2 — CID 68504171

IUPAC4-(3-chloropropoxy)-2-methylbenzamide
SMILESCc1cc(OCCCCl)ccc1C(N)=O
InChIInChI=1S/C11H14ClNO2/c1-8-7-9(15-6-2-5-12)3-4-10(8)11(13)14/h3-4,7H,2,5-6H2,1H3,(H2,13,14)
InChIKeyHZPVZKJOFSXSAJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.10
Rot. Bonds5

About 4-(3-chloropropoxy)-2-methylbenzamide

4-(3-chloropropoxy)-2-methylbenzamide (PubChem CID 68504171) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(3-chloropropoxy)-2-methylbenzamide.

Molecular Properties

Compound Name4-(3-chloropropoxy)-2-methylbenzamide
PubChem CID68504171
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-(3-chloropropoxy)-2-methylbenzamide
SMILESCc1cc(OCCCCl)ccc1C(N)=O
InChIInChI=1S/C11H14ClNO2/c1-8-7-9(15-6-2-5-12)3-4-10(8)11(13)14/h3-4,7H,2,5-6H2,1H3,(H2,13,14)
InChIKeyHZPVZKJOFSXSAJ-UHFFFAOYSA-N
XLogP2.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
2-methyl-4-propoxybenzoyl chloride
CID 82631959
4-hexoxy-2-methylbenzenecarbothioamide
CID 81277711
1-[4-(3-bromopropoxy)-2-methylphenyl]ethanone
CID 11777949
4-(2-amino-2-methylbutoxy)-2-methylbenzamide
CID 81276903
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376
2-chloro-1-(2-methyl-4-propoxyphenyl)propan-1-one
CID 82264521
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485
2-methyl-4-[1-(methylamino)propan-2-yloxy]benzamide
CID 81275945

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropoxy)-2-methylbenzamide?
The IUPAC name of 4-(3-chloropropoxy)-2-methylbenzamide (CID 68504171) is 4-(3-chloropropoxy)-2-methylbenzamide.
What is the SMILES notation for 4-(3-chloropropoxy)-2-methylbenzamide?
The canonical SMILES for 4-(3-chloropropoxy)-2-methylbenzamide is Cc1cc(OCCCCl)ccc1C(N)=O.
What is the InChIKey of 4-(3-chloropropoxy)-2-methylbenzamide?
The InChIKey is HZPVZKJOFSXSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8-7-9(15-6-2-5-12)3-4-10(8)11(13)14/h3-4,7H,2,5-6H2,1H3,(H2,13,14).
What are the key properties of 4-(3-chloropropoxy)-2-methylbenzamide?
4-(3-chloropropoxy)-2-methylbenzamide has a molecular weight of 227.69 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropoxy)-2-methylbenzamide is sourced from PubChem (CID 68504171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).