4-(3-aminopropoxymethyl)-3-chlorobenzamide

C11H15ClN2O2 — CID 102668854

IUPAC4-(3-aminopropoxymethyl)-3-chlorobenzamide
SMILESNCCCOCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-10-6-8(11(14)15)2-3-9(10)7-16-5-1-4-13/h2-3,6H,1,4-5,7,13H2,(H2,14,15)
InChIKeyWFJRKOYQFVFKNV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.30
Rot. Bonds6

About 4-(3-aminopropoxymethyl)-3-chlorobenzamide

4-(3-aminopropoxymethyl)-3-chlorobenzamide (PubChem CID 102668854) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(3-aminopropoxymethyl)-3-chlorobenzamide.

Molecular Properties

Compound Name4-(3-aminopropoxymethyl)-3-chlorobenzamide
PubChem CID102668854
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-(3-aminopropoxymethyl)-3-chlorobenzamide
SMILESNCCCOCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-10-6-8(11(14)15)2-3-9(10)7-16-5-1-4-13/h2-3,6H,1,4-5,7,13H2,(H2,14,15)
InChIKeyWFJRKOYQFVFKNV-UHFFFAOYSA-N
XLogP1.30
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide
CID 102668901
3-chloro-4-(3-hydroxypropoxymethyl)benzoic acid
CID 102670177
4-(2-aminoethoxymethyl)-3-methylbenzamide
CID 114484486
(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
CID 102669562
4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide
CID 102668869
3-chloro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 103175941
4-(2-butoxyethoxymethyl)-3-chlorobenzenecarbothioamide
CID 102666550
3-chloro-4-[(3-propoxypropylamino)methyl]benzamide
CID 102664947
3-chloro-4-(piperidin-4-yloxymethyl)benzamide
CID 102668830
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
3-amino-4-[3-(2-methoxyethoxy)propoxymethyl]benzamide
CID 103401297
3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide
CID 102664929

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropoxymethyl)-3-chlorobenzamide?
The IUPAC name of 4-(3-aminopropoxymethyl)-3-chlorobenzamide (CID 102668854) is 4-(3-aminopropoxymethyl)-3-chlorobenzamide.
What is the SMILES notation for 4-(3-aminopropoxymethyl)-3-chlorobenzamide?
The canonical SMILES for 4-(3-aminopropoxymethyl)-3-chlorobenzamide is NCCCOCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-(3-aminopropoxymethyl)-3-chlorobenzamide?
The InChIKey is WFJRKOYQFVFKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-10-6-8(11(14)15)2-3-9(10)7-16-5-1-4-13/h2-3,6H,1,4-5,7,13H2,(H2,14,15).
What are the key properties of 4-(3-aminopropoxymethyl)-3-chlorobenzamide?
4-(3-aminopropoxymethyl)-3-chlorobenzamide has a molecular weight of 242.71 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxymethyl)-3-chlorobenzamide is sourced from PubChem (CID 102668854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).