N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide

C13H22ClNO — CID 107321626

IUPACN-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCCCCl)C1CC2CCC1C2
InChIInChI=1S/C13H22ClNO/c14-6-2-1-3-7-15-13(16)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2,(H,15,16)
InChIKeyCNMYIZNGKVGYNM-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.95
Rot. Bonds6

About N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 107321626) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID107321626
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC NameN-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCCCCCl)C1CC2CCC1C2
InChIInChI=1S/C13H22ClNO/c14-6-2-1-3-7-15-13(16)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2,(H,15,16)
InChIKeyCNMYIZNGKVGYNM-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
(1R,2R,4R)-N-octylbicyclo[2.2.1]heptane-2-carboxamide
CID 98289110
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
3-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 23306656
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
N-(3-chlorobutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114301869
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573
(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079828
N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106133416

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 107321626) is N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCCCCCl)C1CC2CCC1C2.
What is the InChIKey of N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CNMYIZNGKVGYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-6-2-1-3-7-15-13(16)12-9-10-4-5-11(12)8-10/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 243.78 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 107321626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).