3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide

C13H19ClN2O — CID 54912956

IUPAC3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide
SMILESCC(CNC(=O)c1cccc(CCl)c1)N(C)C
InChIInChI=1S/C13H19ClN2O/c1-10(16(2)3)9-15-13(17)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyJNSLWDZPAWJUGS-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.11
Rot. Bonds5

About 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide

3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide (PubChem CID 54912956) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide
PubChem CID54912956
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide
SMILESCC(CNC(=O)c1cccc(CCl)c1)N(C)C
InChIInChI=1S/C13H19ClN2O/c1-10(16(2)3)9-15-13(17)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyJNSLWDZPAWJUGS-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 43578897
3-(chloromethyl)-N-pentan-2-ylbenzamide
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3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide
CID 114615983
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)benzamide
CID 104827955
3-(chloromethyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 43346663
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide (CID 54912956) is 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide is CC(CNC(=O)c1cccc(CCl)c1)N(C)C.
What is the InChIKey of 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide?
The InChIKey is JNSLWDZPAWJUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(16(2)3)9-15-13(17)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide?
3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide has a molecular weight of 254.76 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 54912956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).