2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide

C19H25ClN2O2 — CID 135099507

IUPAC2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide
SMILESNC(=O)COc1ccc(CN2C[C@@H]3C4CCC(CC4)[C@@H]3C2)cc1Cl
InChIInChI=1S/C19H25ClN2O2/c20-17-7-12(1-6-18(17)24-11-19(21)23)8-22-9-15-13-2-3-14(5-4-13)16(15)10-22/h1,6-7,13-16H,2-5,8-11H2,(H2,21,23)/t13?,14?,15-,16+
InChIKeyNDTLDHMVDHMXGX-STONLHKKSA-N
MW348.87 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide

2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide (PubChem CID 135099507) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide
PubChem CID135099507
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide
SMILESNC(=O)COc1ccc(CN2C[C@@H]3C4CCC(CC4)[C@@H]3C2)cc1Cl
InChIInChI=1S/C19H25ClN2O2/c20-17-7-12(1-6-18(17)24-11-19(21)23)8-22-9-15-13-2-3-14(5-4-13)16(15)10-22/h1,6-7,13-16H,2-5,8-11H2,(H2,21,23)/t13?,14?,15-,16+
InChIKeyNDTLDHMVDHMXGX-STONLHKKSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide with MolForge

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Related Compounds

2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide
CID 77097712
2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide
CID 56889989
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
2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide
CID 99938808
2-[3-[[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 133123905
2-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 97151706
2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504
2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride
CID 120660894
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide
CID 2986518

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide?
The IUPAC name of 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide (CID 135099507) is 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide?
The canonical SMILES for 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide is NC(=O)COc1ccc(CN2C[C@@H]3C4CCC(CC4)[C@@H]3C2)cc1Cl.
What is the InChIKey of 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide?
The InChIKey is NDTLDHMVDHMXGX-STONLHKKSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-17-7-12(1-6-18(17)24-11-19(21)23)8-22-9-15-13-2-3-14(5-4-13)16(15)10-22/h1,6-7,13-16H,2-5,8-11H2,(H2,21,23)/t13?,14?,15-,16+.
What are the key properties of 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide?
2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide has a molecular weight of 348.87 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide is sourced from PubChem (CID 135099507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).