2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide

C14H16Br2FNO — CID 115364185

IUPAC2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
SMILESO=C(NCC1(CBr)CCCC1)c1cccc(F)c1Br
InChIInChI=1S/C14H16Br2FNO/c15-8-14(6-1-2-7-14)9-18-13(19)10-4-3-5-11(17)12(10)16/h3-5H,1-2,6-9H2,(H,18,19)
InChIKeyWUTQDGKXHDKUIA-UHFFFAOYSA-N
MW393.09 g/mol
LogP4.27
Rot. Bonds4

About 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide

2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide (PubChem CID 115364185) has the molecular formula C14H16Br2FNO and a molecular weight of 393.09 g/mol. Its IUPAC name is 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
PubChem CID115364185
Molecular FormulaC14H16Br2FNO
Molecular Weight393.09 g/mol
Exact Mass390.96
IUPAC Name2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
SMILESO=C(NCC1(CBr)CCCC1)c1cccc(F)c1Br
InChIInChI=1S/C14H16Br2FNO/c15-8-14(6-1-2-7-14)9-18-13(19)10-4-3-5-11(17)12(10)16/h3-5H,1-2,6-9H2,(H,18,19)
InChIKeyWUTQDGKXHDKUIA-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.09
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
CID 114096122
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,3-dihydroxybenzamide
CID 114345330
4-[[(2-bromo-3-fluorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438483
N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide
CID 104615776
4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
CID 103969816
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide
CID 115456399
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide (CID 115364185) is 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide is O=C(NCC1(CBr)CCCC1)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide?
The InChIKey is WUTQDGKXHDKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2FNO/c15-8-14(6-1-2-7-14)9-18-13(19)10-4-3-5-11(17)12(10)16/h3-5H,1-2,6-9H2,(H,18,19).
What are the key properties of 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide?
2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide has a molecular weight of 393.09 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 115364185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).