N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide

C16H21BrFNO3 — CID 58756809

IUPACN-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(CBr)CCCCCNC(=O)COCc1ccc(F)cc1
InChIInChI=1S/C16H21BrFNO3/c17-10-15(20)4-2-1-3-9-19-16(21)12-22-11-13-5-7-14(18)8-6-13/h5-8H,1-4,9-12H2,(H,19,21)
InChIKeyZRQQDZZYOOZODI-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.98
Rot. Bonds11

About N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide

N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 58756809) has the molecular formula C16H21BrFNO3 and a molecular weight of 374.25 g/mol. Its IUPAC name is N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID58756809
Molecular FormulaC16H21BrFNO3
Molecular Weight374.25 g/mol
Exact Mass373.07
IUPAC NameN-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(CBr)CCCCCNC(=O)COCc1ccc(F)cc1
InChIInChI=1S/C16H21BrFNO3/c17-10-15(20)4-2-1-3-9-19-16(21)12-22-11-13-5-7-14(18)8-6-13/h5-8H,1-4,9-12H2,(H,19,21)
InChIKeyZRQQDZZYOOZODI-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
CID 58756727
N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 86609289
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
1-[(4-fluorophenyl)methoxy]hexan-2-one
CID 145231574
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 143299330
N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 87804784
N-butyl-2-phenylmethoxyacetamide
CID 126717674
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide (CID 58756809) is N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide is O=C(CBr)CCCCCNC(=O)COCc1ccc(F)cc1.
What is the InChIKey of N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is ZRQQDZZYOOZODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO3/c17-10-15(20)4-2-1-3-9-19-16(21)12-22-11-13-5-7-14(18)8-6-13/h5-8H,1-4,9-12H2,(H,19,21).
What are the key properties of N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide?
N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 374.25 g/mol, XLogP of 2.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 58756809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).