N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide

C16H22ClNO — CID 114179364

IUPACN-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCCC2CCl)cc1
InChIInChI=1S/C16H22ClNO/c1-11(2)12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(15)10-17/h6-9,11,14-15H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyAGKLDXLNGWSOPT-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.95
Rot. Bonds4

About N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide

N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide (PubChem CID 114179364) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
PubChem CID114179364
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCCC2CCl)cc1
InChIInChI=1S/C16H22ClNO/c1-11(2)12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(15)10-17/h6-9,11,14-15H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyAGKLDXLNGWSOPT-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.95
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-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106365913
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114179381
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide (CID 114179364) is N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC2CCCC2CCl)cc1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide?
The InChIKey is AGKLDXLNGWSOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11(2)12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(15)10-17/h6-9,11,14-15H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide?
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide has a molecular weight of 279.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 114179364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).