N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H24ClNO — CID 106133416

IUPACN-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1CCC(Cl)CC1)C1CC2CCC1C2
InChIInChI=1S/C15H24ClNO/c16-13-5-2-10(3-6-13)9-17-15(18)14-8-11-1-4-12(14)7-11/h10-14H,1-9H2,(H,17,18)
InChIKeyAXKWRHZRHCKVCN-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.34
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 106133416) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID106133416
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1CCC(Cl)CC1)C1CC2CCC1C2
InChIInChI=1S/C15H24ClNO/c16-13-5-2-10(3-6-13)9-17-15(18)14-8-11-1-4-12(14)7-11/h10-14H,1-9H2,(H,17,18)
InChIKeyAXKWRHZRHCKVCN-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.34
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

(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
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chlorocyclohexyl)methyl]acetamide
CID 106133993
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-(3-chlorobutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114301869
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64928421
N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107321626
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
N-(2-amino-2-sulfanylideneethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366322
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 106133416) is N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC1CCC(Cl)CC1)C1CC2CCC1C2.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AXKWRHZRHCKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c16-13-5-2-10(3-6-13)9-17-15(18)14-8-11-1-4-12(14)7-11/h10-14H,1-9H2,(H,17,18).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 269.82 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 106133416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).