4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide

C14H17BrFNO2 — CID 46419484

IUPAC4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
SMILESO=C(NCCCOCC1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFNO2/c15-11-4-5-12(13(16)8-11)14(18)17-6-1-7-19-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,17,18)
InChIKeyXXOYOUKMFPOANJ-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.13
Rot. Bonds7

About 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide

4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide (PubChem CID 46419484) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
PubChem CID46419484
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
SMILESO=C(NCCCOCC1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFNO2/c15-11-4-5-12(13(16)8-11)14(18)17-6-1-7-19-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,17,18)
InChIKeyXXOYOUKMFPOANJ-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide
CID 103773500
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
CID 107321212

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide (CID 46419484) is 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide is O=C(NCCCOCC1CC1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide?
The InChIKey is XXOYOUKMFPOANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-11-4-5-12(13(16)8-11)14(18)17-6-1-7-19-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9H2,(H,17,18).
What are the key properties of 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide?
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide has a molecular weight of 330.20 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide is sourced from PubChem (CID 46419484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).