3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide

C13H18ClNO2 — CID 55141461

IUPAC3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
SMILESCOCCCN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C13H18ClNO2/c1-15(7-4-8-17-2)13(16)12-6-3-5-11(9-12)10-14/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyRRBOFJOLYYVLDZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.53
Rot. Bonds6

About 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide

3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide (PubChem CID 55141461) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
PubChem CID55141461
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
SMILESCOCCCN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C13H18ClNO2/c1-15(7-4-8-17-2)13(16)12-6-3-5-11(9-12)10-14/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyRRBOFJOLYYVLDZ-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.53
H-Bond Donors ≤ 50
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

3-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981417
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893102
3-(chloromethyl)-N-(2-methoxyethoxy)benzamide
CID 82715225
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 79601084
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
CID 43588600

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide?
The IUPAC name of 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide (CID 55141461) is 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide?
The canonical SMILES for 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide is COCCCN(C)C(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide?
The InChIKey is RRBOFJOLYYVLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-15(7-4-8-17-2)13(16)12-6-3-5-11(9-12)10-14/h3,5-6,9H,4,7-8,10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide?
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide has a molecular weight of 255.75 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide is sourced from PubChem (CID 55141461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).