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

C24H25BrN2O2 — CID 101346624

IUPACN-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12
InChIInChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)13-21(23)24(28)26-14-18-11-12-27(16-18)15-17-7-3-2-4-8-17/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyCNAWUGXPLJMOSN-GOSISDBHSA-N
MW453.38 g/mol
LogP4.86
Rot. Bonds6

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

N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide (PubChem CID 101346624) has the molecular formula C24H25BrN2O2 and a molecular weight of 453.38 g/mol. Its IUPAC name is N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
PubChem CID101346624
Molecular FormulaC24H25BrN2O2
Molecular Weight453.38 g/mol
Exact Mass452.11
IUPAC NameN-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12
InChIInChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)13-21(23)24(28)26-14-18-11-12-27(16-18)15-17-7-3-2-4-8-17/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyCNAWUGXPLJMOSN-GOSISDBHSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10789834
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709
4-bromo-N-[(1-butylpyrrolidin-2-yl)methyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride
CID 18983061
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide (CID 101346624) is N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide is COc1c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12.
What is the InChIKey of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide?
The InChIKey is CNAWUGXPLJMOSN-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)13-21(23)24(28)26-14-18-11-12-27(16-18)15-17-7-3-2-4-8-17/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,28)/t18-/m1/s1.
What are the key properties of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide?
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide has a molecular weight of 453.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 101346624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).