N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C14H20ClNO — CID 106444042

IUPACN-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NC1CCCC1Cl)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H20ClNO/c15-9-2-1-3-10(9)16-14(17)13-11-7-4-5-8(6-7)12(11)13/h7-13H,1-6H2,(H,16,17)
InChIKeyABZPAQHFTJUMSZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.55
Rot. Bonds2

About N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 106444042) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID106444042
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NC1CCCC1Cl)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H20ClNO/c15-9-2-1-3-10(9)16-14(17)13-11-7-4-5-8(6-7)12(11)13/h7-13H,1-6H2,(H,16,17)
InChIKeyABZPAQHFTJUMSZ-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.55
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-chlorocyclopentyl)adamantane-2-carboxamide
CID 106443807
N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106443809
N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114301118
N-[2-(aminomethyl)cyclopentyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119603550
N-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103759905
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide
CID 106443963
N-(2-chlorocyclohexyl)-1,1-dioxothiane-2-carboxamide
CID 113422495
N-[(2-aminocyclopentyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103806310
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
(1S,2S,3R,4R)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11906164
N-(2-bromocyclopentyl)adamantane-2-carboxamide
CID 81095777

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 106444042) is N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(NC1CCCC1Cl)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is ABZPAQHFTJUMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-9-2-1-3-10(9)16-14(17)13-11-7-4-5-8(6-7)12(11)13/h7-13H,1-6H2,(H,16,17).
What are the key properties of N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 253.77 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 106444042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).