N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide

C9H14ClNO — CID 114305037

IUPACN-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide
SMILESO=C(NCC(Cl)C1CC1)C1CC1
InChIInChI=1S/C9H14ClNO/c10-8(6-1-2-6)5-11-9(12)7-3-4-7/h6-8H,1-5H2,(H,11,12)
InChIKeyLGHCQNBIEPUJIH-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.53
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide

N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide (PubChem CID 114305037) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide
PubChem CID114305037
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC NameN-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide
SMILESO=C(NCC(Cl)C1CC1)C1CC1
InChIInChI=1S/C9H14ClNO/c10-8(6-1-2-6)5-11-9(12)7-3-4-7/h6-8H,1-5H2,(H,11,12)
InChIKeyLGHCQNBIEPUJIH-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.53
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-bromo-2-cyclopropylethyl)cyclopropanecarboxamide
CID 114315724
N-(2-chloro-2-cyclopropylethyl)adamantane-2-carboxamide
CID 113273452
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-cyclopropyl-2-hydroxyethyl)-4-hydroxycyclohexane-1-carboxamide
CID 136538686
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
3-methyl-4-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 120536964
4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
CID 63298695
N-(2-chloro-2-cyclopropylethyl)decanamide
CID 113273435
N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide (CID 114305037) is N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide is O=C(NCC(Cl)C1CC1)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide?
The InChIKey is LGHCQNBIEPUJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-8(6-1-2-6)5-11-9(12)7-3-4-7/h6-8H,1-5H2,(H,11,12).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide?
N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide has a molecular weight of 187.67 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 114305037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).