N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide

C14H21BrF3NO — CID 106127906

IUPACN-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCC(Br)C1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21BrF3NO/c15-12-6-1-9(7-12)8-19-13(20)10-2-4-11(5-3-10)14(16,17)18/h9-12H,1-8H2,(H,19,20)
InChIKeyMYYFJZIKIRQGKF-UHFFFAOYSA-N
MW356.23 g/mol
LogP4.03
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106127906) has the molecular formula C14H21BrF3NO and a molecular weight of 356.23 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106127906
Molecular FormulaC14H21BrF3NO
Molecular Weight356.23 g/mol
Exact Mass355.08
IUPAC NameN-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCC(Br)C1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21BrF3NO/c15-12-6-1-9(7-12)8-19-13(20)10-2-4-11(5-3-10)14(16,17)18/h9-12H,1-8H2,(H,19,20)
InChIKeyMYYFJZIKIRQGKF-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 54.03
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-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106132587
N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide
CID 165454239
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
N-[(3-bromocyclohexyl)methyl]thiolane-3-carboxamide
CID 106132659
N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 106128288
N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide
CID 106128505
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106127906) is N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1CCC(Br)C1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is MYYFJZIKIRQGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrF3NO/c15-12-6-1-9(7-12)8-19-13(20)10-2-4-11(5-3-10)14(16,17)18/h9-12H,1-8H2,(H,19,20).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 356.23 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106127906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).