2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide

C14H20BrFN2O — CID 24694683

IUPAC2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
SMILESCCN(CC)CCCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H20BrFN2O/c1-3-18(4-2)9-5-8-17-14(19)12-10-11(16)6-7-13(12)15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyNBYROLQFDQTXFZ-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.05
Rot. Bonds7

About 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide

2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide (PubChem CID 24694683) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
PubChem CID24694683
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
SMILESCCN(CC)CCCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H20BrFN2O/c1-3-18(4-2)9-5-8-17-14(19)12-10-11(16)6-7-13(12)15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyNBYROLQFDQTXFZ-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.05
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

2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
3-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoyl-ethylamino]propanoic acid
CID 119191093
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
CID 103600067
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 119583493
2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide
CID 78889647
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907101

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide (CID 24694683) is 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide is CCN(CC)CCCNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide?
The InChIKey is NBYROLQFDQTXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-3-18(4-2)9-5-8-17-14(19)12-10-11(16)6-7-13(12)15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide?
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide has a molecular weight of 331.23 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide is sourced from PubChem (CID 24694683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).