3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide

C14H14BrFN2O — CID 103707598

IUPAC3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
SMILESN#CCN(C(=O)c1ccc(F)c(Br)c1)C1CCCC1
InChIInChI=1S/C14H14BrFN2O/c15-12-9-10(5-6-13(12)16)14(19)18(8-7-17)11-3-1-2-4-11/h5-6,9,11H,1-4,8H2
InChIKeyZXDDKVKTLHELDA-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.50
Rot. Bonds3

About 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide

3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide (PubChem CID 103707598) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
PubChem CID103707598
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
SMILESN#CCN(C(=O)c1ccc(F)c(Br)c1)C1CCCC1
InChIInChI=1S/C14H14BrFN2O/c15-12-9-10(5-6-13(12)16)14(19)18(8-7-17)11-3-1-2-4-11/h5-6,9,11H,1-4,8H2
InChIKeyZXDDKVKTLHELDA-UHFFFAOYSA-N
XLogP3.50
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
CID 107956554
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
CID 94699877
3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide
CID 107956894
N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82814308
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
CID 103780332
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide
CID 82771438
N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
3-bromo-N-(1-cyanocyclohexyl)-4-fluoro-N-methylbenzamide
CID 107951776
3-chloro-N-(cyanomethyl)-N-cyclopentyl-5-nitrobenzamide
CID 78997169
4-bromo-N-(cyanomethyl)-N-cyclopentyl-2-methoxybenzamide
CID 78997563

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide (CID 103707598) is 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide is N#CCN(C(=O)c1ccc(F)c(Br)c1)C1CCCC1.
What is the InChIKey of 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide?
The InChIKey is ZXDDKVKTLHELDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c15-12-9-10(5-6-13(12)16)14(19)18(8-7-17)11-3-1-2-4-11/h5-6,9,11H,1-4,8H2.
What are the key properties of 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide?
3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide has a molecular weight of 325.18 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide is sourced from PubChem (CID 103707598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).