6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide

C15H20BrFN2O2 — CID 47063585

IUPAC6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C15H20BrFN2O2/c1-11(20)18-8-4-2-3-5-15(21)19-10-12-9-13(17)6-7-14(12)16/h6-7,9H,2-5,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFALIJURLYKHSSV-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.90
Rot. Bonds8

About 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide

6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide (PubChem CID 47063585) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
PubChem CID47063585
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C15H20BrFN2O2/c1-11(20)18-8-4-2-3-5-15(21)19-10-12-9-13(17)6-7-14(12)16/h6-7,9H,2-5,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFALIJURLYKHSSV-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
CID 66717796
methyl 4-[(2-bromo-5-fluorophenyl)methylamino]-4-oxobutanoate
CID 47312249
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
CID 54902470
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 54902515
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]prop-2-ynamide
CID 131097698
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide?
The IUPAC name of 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide (CID 47063585) is 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide is CC(=O)NCCCCCC(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide?
The InChIKey is FALIJURLYKHSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-11(20)18-8-4-2-3-5-15(21)19-10-12-9-13(17)6-7-14(12)16/h6-7,9H,2-5,8,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide?
6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide has a molecular weight of 359.24 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide is sourced from PubChem (CID 47063585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).