3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide

C18H18ClNO — CID 43578962

IUPAC3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(CCl)c1)C1CCc2ccccc21
InChIInChI=1S/C18H18ClNO/c1-20(17-10-9-14-6-2-3-8-16(14)17)18(21)15-7-4-5-13(11-15)12-19/h2-8,11,17H,9-10,12H2,1H3
InChIKeyNZMMJWRZTKDPOJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.18
Rot. Bonds3

About 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide

3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide (PubChem CID 43578962) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
PubChem CID43578962
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(CCl)c1)C1CCc2ccccc21
InChIInChI=1S/C18H18ClNO/c1-20(17-10-9-14-6-2-3-8-16(14)17)18(21)15-7-4-5-13(11-15)12-19/h2-8,11,17H,9-10,12H2,1H3
InChIKeyNZMMJWRZTKDPOJ-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.18
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

4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 55533364
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide
CID 55534185
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
5-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-3-carboxamide
CID 47159920
3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide
CID 61027253
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42916495

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
The IUPAC name of 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide (CID 43578962) is 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide is CN(C(=O)c1cccc(CCl)c1)C1CCc2ccccc21.
What is the InChIKey of 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
The InChIKey is NZMMJWRZTKDPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-20(17-10-9-14-6-2-3-8-16(14)17)18(21)15-7-4-5-13(11-15)12-19/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide has a molecular weight of 299.80 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide is sourced from PubChem (CID 43578962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).