N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide

C11H20ClNO — CID 114296561

IUPACN-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(C)Cl)CCCC1
InChIInChI=1S/C11H20ClNO/c1-3-11(6-4-5-7-11)10(14)13-8-9(2)12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCTNGUSPRDFLRFV-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.70
Rot. Bonds4

About N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide

N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 114296561) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
PubChem CID114296561
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(C)Cl)CCCC1
InChIInChI=1S/C11H20ClNO/c1-3-11(6-4-5-7-11)10(14)13-8-9(2)12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCTNGUSPRDFLRFV-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.70
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

1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
CID 103770291
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659
N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119497906
N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 114294579
N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 114305869
3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 63131690
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-ethylcyclopentane-1-carboxamide
CID 113295139
(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107834001
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-ethyl-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107318578
1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide
CID 106846383

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide (CID 114296561) is N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)NCC(C)Cl)CCCC1.
What is the InChIKey of N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is CTNGUSPRDFLRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-3-11(6-4-5-7-11)10(14)13-8-9(2)12/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide?
N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 217.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 114296561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).