1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide

C22H26Cl2N2O2 — CID 176930014

IUPAC1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
InChIInChI=1S/C22H26Cl2N2O2/c1-15(2)10-25-22(27)18-12-26(13-18)11-16-3-6-19(7-4-16)28-14-17-5-8-20(23)21(24)9-17/h3-9,15,18H,10-14H2,1-2H3,(H,25,27)
InChIKeySOIFFAMFSXENEO-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.78
Rot. Bonds8

About 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide

1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide (PubChem CID 176930014) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide
PubChem CID176930014
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
InChIInChI=1S/C22H26Cl2N2O2/c1-15(2)10-25-22(27)18-12-26(13-18)11-16-3-6-19(7-4-16)28-14-17-5-8-20(23)21(24)9-17/h3-9,15,18H,10-14H2,1-2H3,(H,25,27)
InChIKeySOIFFAMFSXENEO-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930466
N-(2-hydroxyethyl)-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176930169
1-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930187
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-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 23819271
(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 56860922
methyl (2S)-2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoate
CID 163934815
1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid
CID 2903427
1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid
CID 176930792
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930959

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide?
The IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide (CID 176930014) is 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide?
The canonical SMILES for 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide is CC(C)CNC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1.
What is the InChIKey of 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide?
The InChIKey is SOIFFAMFSXENEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-15(2)10-25-22(27)18-12-26(13-18)11-16-3-6-19(7-4-16)28-14-17-5-8-20(23)21(24)9-17/h3-9,15,18H,10-14H2,1-2H3,(H,25,27).
What are the key properties of 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide?
1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide has a molecular weight of 421.37 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide is sourced from PubChem (CID 176930014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).