N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide

C15H20BrNO — CID 113274135

IUPACN-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
SMILESO=C(NCC(Br)c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20BrNO/c16-14(12-7-3-1-4-8-12)11-17-15(18)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,18)
InChIKeyPXXKWYDZVOMJGB-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.82
Rot. Bonds4

About N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide

N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide (PubChem CID 113274135) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
PubChem CID113274135
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
SMILESO=C(NCC(Br)c1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20BrNO/c16-14(12-7-3-1-4-8-12)11-17-15(18)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,18)
InChIKeyPXXKWYDZVOMJGB-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.82
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-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
CID 114308467
N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide
CID 90743751
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylpropanoic acid
CID 75429616
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide (CID 113274135) is N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide is O=C(NCC(Br)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide?
The InChIKey is PXXKWYDZVOMJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-14(12-7-3-1-4-8-12)11-17-15(18)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,18).
What are the key properties of N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide?
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide has a molecular weight of 310.23 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 113274135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).