3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide

C12H14ClNO — CID 62397719

IUPAC3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C12H14ClNO/c1-8-5-11(8)14-12(15)10-4-2-3-9(6-10)7-13/h2-4,6,8,11H,5,7H2,1H3,(H,14,15)
InChIKeyDEJYSZXUHSSSNT-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.56
Rot. Bonds3

About 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide

3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide (PubChem CID 62397719) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide
PubChem CID62397719
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C12H14ClNO/c1-8-5-11(8)14-12(15)10-4-2-3-9(6-10)7-13/h2-4,6,8,11H,5,7H2,1H3,(H,14,15)
InChIKeyDEJYSZXUHSSSNT-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
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-(2,4-dimethylcyclohexyl)benzamide
CID 63995699
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
3-(chloromethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470268
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
3-(chloromethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033483
3-(chloromethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107216797
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
3-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)benzamide
CID 104827955
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide
CID 114615983

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide (CID 62397719) is 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide is CC1CC1NC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide?
The InChIKey is DEJYSZXUHSSSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8-5-11(8)14-12(15)10-4-2-3-9(6-10)7-13/h2-4,6,8,11H,5,7H2,1H3,(H,14,15).
What are the key properties of 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide?
3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide has a molecular weight of 223.70 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2-methylcyclopropyl)benzamide is sourced from PubChem (CID 62397719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).