N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide

C12H20ClNO — CID 106132228

IUPACN-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CCCC(Cl)C1)C1CCC1
InChIInChI=1S/C12H20ClNO/c13-11-6-1-3-9(7-11)8-14-12(15)10-4-2-5-10/h9-11H,1-8H2,(H,14,15)
InChIKeyNMFVFMWQUDERNN-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.70
Rot. Bonds3

About N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide

N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide (PubChem CID 106132228) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
PubChem CID106132228
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CCCC(Cl)C1)C1CCC1
InChIInChI=1S/C12H20ClNO/c13-11-6-1-3-9(7-11)8-14-12(15)10-4-2-5-10/h9-11H,1-8H2,(H,14,15)
InChIKeyNMFVFMWQUDERNN-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.70
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

Valeramide, 5-chloro-N-(2-ethylhexyl)-
CID 61251666
n-(2-Chloroethyl)cyclohexanecarboxamide
CID 257672
N-[(3-chlorocyclohexyl)methyl]-3,3,3-trifluoropropanamide
CID 106131667
N-[(3-chlorocyclohexyl)methyl]-4,4,4-trifluorobutanamide
CID 106132457
N-[(4-chlorocyclohexyl)methyl]-4,4,4-trifluorobutanamide
CID 106134008
N-(4-chlorobutyl)-4,4-difluorocyclohexane-1-carboxamide
CID 106845155
N-(5-chloropentyl)-4,4-difluorocyclohexane-1-carboxamide
CID 107321494
N-(6-chlorohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 107847350
N-(6-chlorohexyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226684
N-[(2-chlorocyclohexyl)methyl]-4,4,4-trifluorobutanamide
CID 114301542
4-chloro-N-(2-ethylhexyl)butanamide
CID 3516107
4-chloro-N-(4-methylcyclohexyl)butanamide
CID 16781106

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide (CID 106132228) is N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide is O=C(NCC1CCCC(Cl)C1)C1CCC1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide?
The InChIKey is NMFVFMWQUDERNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c13-11-6-1-3-9(7-11)8-14-12(15)10-4-2-5-10/h9-11H,1-8H2,(H,14,15).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide?
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide has a molecular weight of 229.75 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 106132228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).