4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide

C24H22N2O3 — CID 56545893

IUPAC4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)N3CCCC3c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c25-23(27)18-8-12-20(13-9-18)29-21-14-10-19(11-15-21)24(28)26-16-4-7-22(26)17-5-2-1-3-6-17/h1-3,5-6,8-15,22H,4,7,16H2,(H2,25,27)
InChIKeyRLGOPQLBTZOGBG-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.56
Rot. Bonds5

About 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide

4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide (PubChem CID 56545893) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
PubChem CID56545893
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)N3CCCC3c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c25-23(27)18-8-12-20(13-9-18)29-21-14-10-19(11-15-21)24(28)26-16-4-7-22(26)17-5-2-1-3-6-17/h1-3,5-6,8-15,22H,4,7,16H2,(H2,25,27)
InChIKeyRLGOPQLBTZOGBG-UHFFFAOYSA-N
XLogP4.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
CID 141321340
(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
CID 119737788
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
CID 56545543
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide
CID 119313132
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
tert-butyl 2-(4-carbamoylphenyl)pyrrolidine-1-carboxylate
CID 170590736
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 55495671
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 78949928

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide?
The IUPAC name of 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide (CID 56545893) is 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide.
What is the SMILES notation for 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide?
The canonical SMILES for 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)N3CCCC3c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide?
The InChIKey is RLGOPQLBTZOGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c25-23(27)18-8-12-20(13-9-18)29-21-14-10-19(11-15-21)24(28)26-16-4-7-22(26)17-5-2-1-3-6-17/h1-3,5-6,8-15,22H,4,7,16H2,(H2,25,27).
What are the key properties of 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide?
4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide is sourced from PubChem (CID 56545893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).