N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide

C19H21ClN2O2 — CID 124516746

IUPACN-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN1CC[C@H](Oc2ccccc2Cl)C1
InChIInChI=1S/C19H21ClN2O2/c1-14(23)21-18-8-4-2-6-15(18)12-22-11-10-16(13-22)24-19-9-5-3-7-17(19)20/h2-9,16H,10-13H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyWASVMUBEXUMYFO-INIZCTEOSA-N
MW344.84 g/mol
LogP3.95
Rot. Bonds5

About N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide

N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 124516746) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID124516746
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN1CC[C@H](Oc2ccccc2Cl)C1
InChIInChI=1S/C19H21ClN2O2/c1-14(23)21-18-8-4-2-6-15(18)12-22-11-10-16(13-22)24-19-9-5-3-7-17(19)20/h2-9,16H,10-13H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyWASVMUBEXUMYFO-INIZCTEOSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine
CID 126774849
4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 167942848
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate
CID 91291495
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 10645832
N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47532727
2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
CID 103542192
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 47090669
4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine
CID 167766105
1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol
CID 166232983

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide (CID 124516746) is N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CN1CC[C@H](Oc2ccccc2Cl)C1.
What is the InChIKey of N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is WASVMUBEXUMYFO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(23)21-18-8-4-2-6-15(18)12-22-11-10-16(13-22)24-19-9-5-3-7-17(19)20/h2-9,16H,10-13H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 124516746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).