3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide

C13H18ClNO — CID 43271895

IUPAC3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C13H18ClNO/c1-10(2)9-15(3)13(16)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9H2,1-3H3
InChIKeyKNRPMEHDSGTZPC-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.15
Rot. Bonds4

About 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide

3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide (PubChem CID 43271895) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
PubChem CID43271895
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C13H18ClNO/c1-10(2)9-15(3)13(16)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9H2,1-3H3
InChIKeyKNRPMEHDSGTZPC-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
3-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893102
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
N-(2-chloropropyl)-N,3-dimethylbenzamide
CID 63393760
3-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393941
3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide
CID 54912956
3-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60948271
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide (CID 43271895) is 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide is CC(C)CN(C)C(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is KNRPMEHDSGTZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(2)9-15(3)13(16)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide?
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 239.75 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 43271895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).