4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide

C17H24ClNO — CID 114303084

IUPAC4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CCCC2Cl)cc1
InChIInChI=1S/C17H24ClNO/c1-17(2,3)14-9-7-12(8-10-14)16(20)19-11-13-5-4-6-15(13)18/h7-10,13,15H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyXHIMSFBWJHTFFB-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.12
Rot. Bonds3

About 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide

4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide (PubChem CID 114303084) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
PubChem CID114303084
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CCCC2Cl)cc1
InChIInChI=1S/C17H24ClNO/c1-17(2,3)14-9-7-12(8-10-14)16(20)19-11-13-5-4-6-15(13)18/h7-10,13,15H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyXHIMSFBWJHTFFB-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.12
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-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
CID 114303029
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]thiadiazole-5-carboxamide
CID 114303280
N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
CID 114301502

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide (CID 114303084) is 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC2CCCC2Cl)cc1.
What is the InChIKey of 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide?
The InChIKey is XHIMSFBWJHTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-17(2,3)14-9-7-12(8-10-14)16(20)19-11-13-5-4-6-15(13)18/h7-10,13,15H,4-6,11H2,1-3H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide?
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide has a molecular weight of 293.84 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide is sourced from PubChem (CID 114303084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).