2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide

C19H21ClN2O — CID 163906942

IUPAC2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCN1c1ccc(Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O/c20-16-7-3-14(4-8-16)12-15-5-9-17(10-6-15)22-11-1-2-18(22)13-19(21)23/h3-10,18H,1-2,11-13H2,(H2,21,23)/t18-/m0/s1
InChIKeyQOSUBKUYNOLTQY-SFHVURJKSA-N
MW328.84 g/mol
LogP3.78
Rot. Bonds5

About 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide

2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide (PubChem CID 163906942) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide
PubChem CID163906942
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1CCCN1c1ccc(Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O/c20-16-7-3-14(4-8-16)12-15-5-9-17(10-6-15)22-11-1-2-18(22)13-19(21)23/h3-10,18H,1-2,11-13H2,(H2,21,23)/t18-/m0/s1
InChIKeyQOSUBKUYNOLTQY-SFHVURJKSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-[(3,4-difluorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 51348011
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
2-[1-[4-(naphthalen-2-ylmethyl)phenyl]pyrrolidin-2-yl]acetic acid
CID 51348596
2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
CID 67085852
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616
1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea
CID 72719298
2-[1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]acetic acid
CID 117028588
N-[[1-(4-chlorophenyl)pyrrolidin-2-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 166429844
2-[1-[(4-chlorophenyl)methyl]-4-methylpiperazin-2-yl]acetamide
CID 69355303
[1-(4-chlorophenyl)azetidin-2-yl]methanamine
CID 115020899
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
2-[1-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]piperidin-2-yl]acetamide
CID 174461773

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide (CID 163906942) is 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide is NC(=O)C[C@@H]1CCCN1c1ccc(Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide?
The InChIKey is QOSUBKUYNOLTQY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-16-7-3-14(4-8-16)12-15-5-9-17(10-6-15)22-11-1-2-18(22)13-19(21)23/h3-10,18H,1-2,11-13H2,(H2,21,23)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide?
2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide has a molecular weight of 328.84 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[4-[(4-chlorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 163906942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).