N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide

C18H24ClNO — CID 114303991

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1CCCC(CCl)(NC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H24ClNO/c1-13-4-3-9-18(11-13,12-19)20-17(21)16-8-7-14-5-2-6-15(14)10-16/h7-8,10,13H,2-6,9,11-12H2,1H3,(H,20,21)
InChIKeyYCKONKAKAZSUKB-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.09
Rot. Bonds3

About N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 114303991) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID114303991
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1CCCC(CCl)(NC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H24ClNO/c1-13-4-3-9-18(11-13,12-19)20-17(21)16-8-7-14-5-2-6-15(14)10-16/h7-8,10,13H,2-6,9,11-12H2,1H3,(H,20,21)
InChIKeyYCKONKAKAZSUKB-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.09
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

N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 113273147
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-fluoro-3-methylbenzamide
CID 114303948
3-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 103212407
N-[1-(chloromethyl)-3-methylcyclohexyl]-3,4,5-trifluorobenzamide
CID 114304031
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-hydroxy-2-methylbenzamide
CID 107673046
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,6-difluorobenzamide
CID 114304014
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
N-[1-(chloromethyl)-3-methylcyclohexyl]-1,2-oxazole-3-carboxamide
CID 114304118
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732635
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-fluoro-4-methylbenzamide
CID 114304122
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 114303991) is N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide is CC1CCCC(CCl)(NC(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is YCKONKAKAZSUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-13-4-3-9-18(11-13,12-19)20-17(21)16-8-7-14-5-2-6-15(14)10-16/h7-8,10,13H,2-6,9,11-12H2,1H3,(H,20,21).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 305.85 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 114303991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).