(2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide

C18H18ClFN2O2 — CID 162661997

IUPAC(2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C18H18ClFN2O2/c19-16-9-15(24-11-12-2-1-3-14(20)8-12)5-4-13(16)10-22-7-6-17(22)18(21)23/h1-5,8-9,17H,6-7,10-11H2,(H2,21,23)/t17-/m0/s1
InChIKeyDFUBOQDNHBKKIP-KRWDZBQOSA-N
MW348.81 g/mol
LogP3.12
Rot. Bonds6

About (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide

(2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide (PubChem CID 162661997) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
PubChem CID162661997
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name(2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C18H18ClFN2O2/c19-16-9-15(24-11-12-2-1-3-14(20)8-12)5-4-13(16)10-22-7-6-17(22)18(21)23/h1-5,8-9,17H,6-7,10-11H2,(H2,21,23)/t17-/m0/s1
InChIKeyDFUBOQDNHBKKIP-KRWDZBQOSA-N
XLogP3.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide?
The IUPAC name of (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide (CID 162661997) is (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide is NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(F)c2)cc1Cl.
What is the InChIKey of (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide?
The InChIKey is DFUBOQDNHBKKIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-16-9-15(24-11-12-2-1-3-14(20)8-12)5-4-13(16)10-22-7-6-17(22)18(21)23/h1-5,8-9,17H,6-7,10-11H2,(H2,21,23)/t17-/m0/s1.
What are the key properties of (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide?
(2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 162661997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).