5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide

C14H20BrNO — CID 107910353

IUPAC5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCCCBr)cc1
InChIInChI=1S/C14H20BrNO/c1-11-6-8-13(9-7-11)12(2)16-14(17)5-3-4-10-15/h6-9,12H,3-5,10H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyHLQAJRGTFTYDOJ-GFCCVEGCSA-N
MW298.22 g/mol
LogP3.74
Rot. Bonds6

About 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide

5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide (PubChem CID 107910353) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
PubChem CID107910353
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCCCBr)cc1
InChIInChI=1S/C14H20BrNO/c1-11-6-8-13(9-7-11)12(2)16-14(17)5-3-4-10-15/h6-9,12H,3-5,10H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyHLQAJRGTFTYDOJ-GFCCVEGCSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.74
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

5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356972
N,N'-bis[1-(4-methylphenyl)ethyl]hexadeca-7,9-diynediamide
CID 122396219
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107908289
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
6-amino-4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]hexanamide
CID 81356680

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide (CID 107910353) is 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide is Cc1ccc([C@@H](C)NC(=O)CCCCBr)cc1.
What is the InChIKey of 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide?
The InChIKey is HLQAJRGTFTYDOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-6-8-13(9-7-11)12(2)16-14(17)5-3-4-10-15/h6-9,12H,3-5,10H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide?
5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide has a molecular weight of 298.22 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 107910353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).