2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide

C16H21ClN2O2 — CID 99938808

IUPAC2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide
SMILESCC(C)[C@@H]1C=CCN1Cc1ccc(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)14-4-3-7-19(14)9-12-5-6-15(13(17)8-12)21-10-16(18)20/h3-6,8,11,14H,7,9-10H2,1-2H3,(H2,18,20)/t14-/m0/s1
InChIKeyOLGQYZACVBBQMR-AWEZNQCLSA-N
MW308.81 g/mol
LogP2.60
Rot. Bonds6

About 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide

2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide (PubChem CID 99938808) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide
PubChem CID99938808
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide
SMILESCC(C)[C@@H]1C=CCN1Cc1ccc(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)14-4-3-7-19(14)9-12-5-6-15(13(17)8-12)21-10-16(18)20/h3-6,8,11,14H,7,9-10H2,1-2H3,(H2,18,20)/t14-/m0/s1
InChIKeyOLGQYZACVBBQMR-AWEZNQCLSA-N
XLogP2.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-[[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-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
CID 92878144
2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide
CID 2986518
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 69347794
2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814466
2-[2-chloro-4-[1-(2-methylpropyl)imidazol-2-yl]phenoxy]acetamide
CID 56754331
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide (CID 99938808) is 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide is CC(C)[C@@H]1C=CCN1Cc1ccc(OCC(N)=O)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide?
The InChIKey is OLGQYZACVBBQMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(2)14-4-3-7-19(14)9-12-5-6-15(13(17)8-12)21-10-16(18)20/h3-6,8,11,14H,7,9-10H2,1-2H3,(H2,18,20)/t14-/m0/s1.
What are the key properties of 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide?
2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 99938808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).