4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide

C20H23ClN2O2 — CID 18983069

IUPAC4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide
SMILESC=CCN1CCCC1CNC(=O)c1cc(Cl)c2ccccc2c1OC
InChIInChI=1S/C20H23ClN2O2/c1-3-10-23-11-6-7-14(23)13-22-20(24)17-12-18(21)15-8-4-5-9-16(15)19(17)25-2/h3-5,8-9,12,14H,1,6-7,10-11,13H2,2H3,(H,22,24)
InChIKeyWMXRBGAOSUFJDH-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.88
Rot. Bonds6

About 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide

4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide (PubChem CID 18983069) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide
PubChem CID18983069
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide
SMILESC=CCN1CCCC1CNC(=O)c1cc(Cl)c2ccccc2c1OC
InChIInChI=1S/C20H23ClN2O2/c1-3-10-23-11-6-7-14(23)13-22-20(24)17-12-18(21)15-8-4-5-9-16(15)19(17)25-2/h3-5,8-9,12,14H,1,6-7,10-11,13H2,2H3,(H,22,24)
InChIKeyWMXRBGAOSUFJDH-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-N-[[(2R)-1-prop-2-enylpyrrolidin-2-yl]methyl]-5-sulfamoylbenzamide
CID 969473
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
4-bromo-N-[(1-butylpyrrolidin-2-yl)methyl]-1-methoxynaphthalene-2-carboxamide;hydrochloride
CID 18983061
3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
CID 11440307
6-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]-3H-benzotriazole-5-carboxamide
CID 135565276
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
5-chloro-3-ethyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 6093347
6-hydroxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide;hydrochloride
CID 171379750
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 19008809
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
N-[[(2R)-1-(1-adamantyl)pyrrolidin-2-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10672913
2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
CID 12905454

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide (CID 18983069) is 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide is C=CCN1CCCC1CNC(=O)c1cc(Cl)c2ccccc2c1OC.
What is the InChIKey of 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is WMXRBGAOSUFJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-10-23-11-6-7-14(23)13-22-20(24)17-12-18(21)15-8-4-5-9-16(15)19(17)25-2/h3-5,8-9,12,14H,1,6-7,10-11,13H2,2H3,(H,22,24).
What are the key properties of 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide?
4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18983069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).