1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide

C24H29ClN2O2 — CID 176930466

IUPAC1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(C4CCCC4)c3)cc2)C1
InChIInChI=1S/C24H29ClN2O2/c1-26-24(28)20-14-27(15-20)13-17-6-9-21(10-7-17)29-16-18-8-11-23(25)22(12-18)19-4-2-3-5-19/h6-12,19-20H,2-5,13-16H2,1H3,(H,26,28)
InChIKeyMWMHVHUXZVLUHG-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.75
Rot. Bonds7

About 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide

1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide (PubChem CID 176930466) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
PubChem CID176930466
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(C4CCCC4)c3)cc2)C1
InChIInChI=1S/C24H29ClN2O2/c1-26-24(28)20-14-27(15-20)13-17-6-9-21(10-7-17)29-16-18-8-11-23(25)22(12-18)19-4-2-3-5-19/h6-12,19-20H,2-5,13-16H2,1H3,(H,26,28)
InChIKeyMWMHVHUXZVLUHG-UHFFFAOYSA-N
XLogP4.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-[(3-cyano-4-cyclobutylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929923
1-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930187
1-[[4-[[5-cyclobutyl-6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930338
1-[[4-[(2-cyano-4-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930777
N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931109
1-[[4-[[4-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929943
1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide
CID 176930014
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
1-[[4-[(3-chloro-4-cyclohexylphenyl)methoxy]phenyl]methyl]azetidine-3-carbaldehyde;methanol
CID 176930477
1-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929966
1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
CID 176930441
1-[[4-[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930730

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide (CID 176930466) is 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(C4CCCC4)c3)cc2)C1.
What is the InChIKey of 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is MWMHVHUXZVLUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-26-24(28)20-14-27(15-20)13-17-6-9-21(10-7-17)29-16-18-8-11-23(25)22(12-18)19-4-2-3-5-19/h6-12,19-20H,2-5,13-16H2,1H3,(H,26,28).
What are the key properties of 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide?
1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 412.96 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 176930466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).