4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide

C21H25BrN2O2 — CID 10645614

IUPAC4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12
InChIInChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyJBWREVQKLWMQCO-CQSZACIVSA-N
MW417.35 g/mol
LogP4.36
Rot. Bonds4

About 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide

4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide (PubChem CID 10645614) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide
PubChem CID10645614
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC Name4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12
InChIInChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyJBWREVQKLWMQCO-CQSZACIVSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide?
The IUPAC name of 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide (CID 10645614) is 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide is COc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide?
The InChIKey is JBWREVQKLWMQCO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide?
4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide has a molecular weight of 417.35 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 10645614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).