N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide

C13H24ClNO — CID 107183830

IUPACN-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CCCCl)C(C)C
InChIInChI=1S/C13H24ClNO/c1-10(2)15(9-5-8-14)13(16)12-7-4-6-11(12)3/h10-12H,4-9H2,1-3H3
InChIKeyUEBCOMHXWAWXQI-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.29
Rot. Bonds5

About N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide

N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 107183830) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID107183830
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CCCCl)C(C)C
InChIInChI=1S/C13H24ClNO/c1-10(2)15(9-5-8-14)13(16)12-7-4-6-11(12)3/h10-12H,4-9H2,1-3H3
InChIKeyUEBCOMHXWAWXQI-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide (CID 107183830) is N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide is CC1CCCC1C(=O)N(CCCCl)C(C)C.
What is the InChIKey of N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is UEBCOMHXWAWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-10(2)15(9-5-8-14)13(16)12-7-4-6-11(12)3/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide?
N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 245.79 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 107183830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).