2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide

C19H19ClN2O3 — CID 45207852

IUPAC2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)N2CCC(c3ccccc3Cl)C2)c1
InChIInChI=1S/C19H19ClN2O3/c20-17-7-2-1-6-16(17)14-8-9-22(11-14)19(24)13-4-3-5-15(10-13)25-12-18(21)23/h1-7,10,14H,8-9,11-12H2,(H2,21,23)
InChIKeyMCRQPDFDFXLFAH-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.83
Rot. Bonds5

About 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide

2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide (PubChem CID 45207852) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
PubChem CID45207852
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)N2CCC(c3ccccc3Cl)C2)c1
InChIInChI=1S/C19H19ClN2O3/c20-17-7-2-1-6-16(17)14-8-9-22(11-14)19(24)13-4-3-5-15(10-13)25-12-18(21)23/h1-7,10,14H,8-9,11-12H2,(H2,21,23)
InChIKeyMCRQPDFDFXLFAH-UHFFFAOYSA-N
XLogP2.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide
CID 72902558
[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 97139854
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 95327827
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72926522
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118793699
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide (CID 45207852) is 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide is NC(=O)COc1cccc(C(=O)N2CCC(c3ccccc3Cl)C2)c1.
What is the InChIKey of 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is MCRQPDFDFXLFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-17-7-2-1-6-16(17)14-8-9-22(11-14)19(24)13-4-3-5-15(10-13)25-12-18(21)23/h1-7,10,14H,8-9,11-12H2,(H2,21,23).
What are the key properties of 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 358.83 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 45207852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).