N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide

C12H22ClNO — CID 114294579

IUPACN-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC(CCl)NC(=O)C1(CC)CCCC1
InChIInChI=1S/C12H22ClNO/c1-3-10(9-13)14-11(15)12(4-2)7-5-6-8-12/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyWKQLCBPDFDEPCA-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.09
Rot. Bonds5

About N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide

N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 114294579) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide
PubChem CID114294579
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC(CCl)NC(=O)C1(CC)CCCC1
InChIInChI=1S/C12H22ClNO/c1-3-10(9-13)14-11(15)12(4-2)7-5-6-8-12/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyWKQLCBPDFDEPCA-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.09
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-chlorobutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828986
N-(4-chloro-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106155416
N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 114305869
N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
CID 114296561
N-(1-chloro-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114155001
N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106156254
1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
CID 102677400
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
N-(3-amino-2,2-dimethylpropyl)-1-ethylcyclopentane-1-carboxamide
CID 115365659
1-ethyl-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 165063753

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide (CID 114294579) is N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide is CCC(CCl)NC(=O)C1(CC)CCCC1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is WKQLCBPDFDEPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-3-10(9-13)14-11(15)12(4-2)7-5-6-8-12/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide?
N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 231.77 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 114294579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).