2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide

C19H21ClN2O3 — CID 56889989

IUPAC2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide
SMILESCc1cccc(OC2CN(Cc3ccc(OCC(N)=O)c(Cl)c3)C2)c1
InChIInChI=1S/C19H21ClN2O3/c1-13-3-2-4-15(7-13)25-16-10-22(11-16)9-14-5-6-18(17(20)8-14)24-12-19(21)23/h2-8,16H,9-12H2,1H3,(H2,21,23)
InChIKeyOEDPNRFJMILFHH-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.78
Rot. Bonds7

About 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide

2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 56889989) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide
PubChem CID56889989
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide
SMILESCc1cccc(OC2CN(Cc3ccc(OCC(N)=O)c(Cl)c3)C2)c1
InChIInChI=1S/C19H21ClN2O3/c1-13-3-2-4-15(7-13)25-16-10-22(11-16)9-14-5-6-18(17(20)8-14)24-12-19(21)23/h2-8,16H,9-12H2,1H3,(H2,21,23)
InChIKeyOEDPNRFJMILFHH-UHFFFAOYSA-N
XLogP2.78
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide
CID 135099507
2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide
CID 77097712
2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide
CID 135108092
2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide
CID 131902059
5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 56722948
2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide
CID 99938808
2-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 97151706
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404
2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504
2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide
CID 2992439
2-[3-[[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 133123905

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide (CID 56889989) is 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide is Cc1cccc(OC2CN(Cc3ccc(OCC(N)=O)c(Cl)c3)C2)c1.
What is the InChIKey of 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is OEDPNRFJMILFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13-3-2-4-15(7-13)25-16-10-22(11-16)9-14-5-6-18(17(20)8-14)24-12-19(21)23/h2-8,16H,9-12H2,1H3,(H2,21,23).
What are the key properties of 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide?
2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 360.84 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 56889989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).