3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide

C18H19BrN2O2 — CID 46434206

IUPAC3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O2/c19-15-7-3-5-13(11-15)17(22)21-12-14-6-4-10-20-18(14)23-16-8-1-2-9-16/h3-7,10-11,16H,1-2,8-9,12H2,(H,21,22)
InChIKeyVUESNZIBHCVENT-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.10
Rot. Bonds5

About 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide

3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide (PubChem CID 46434206) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
PubChem CID46434206
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O2/c19-15-7-3-5-13(11-15)17(22)21-12-14-6-4-10-20-18(14)23-16-8-1-2-9-16/h3-7,10-11,16H,1-2,8-9,12H2,(H,21,22)
InChIKeyVUESNZIBHCVENT-UHFFFAOYSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-(cyclopropylamino)-3-nitrobenzamide
CID 55659963
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044376
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 39473460
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38282104
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55659910
4-(4-chlorophenyl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-oxobutanamide
CID 55679215
1-tert-butyl-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-5-cyclopropylpyrazole-3-carboxamide
CID 55842362

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide (CID 46434206) is 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1OC1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide?
The InChIKey is VUESNZIBHCVENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-15-7-3-5-13(11-15)17(22)21-12-14-6-4-10-20-18(14)23-16-8-1-2-9-16/h3-7,10-11,16H,1-2,8-9,12H2,(H,21,22).
What are the key properties of 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide?
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 46434206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).