4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide

C20H23N3O2 — CID 126445059

IUPAC4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCNC(=O)Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCNC3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-21-19(24)12-14-2-4-15(5-3-14)16-6-8-17(9-7-16)20(25)23-18-10-11-22-13-18/h2-9,18,22H,10-13H2,1H3,(H,21,24)(H,23,25)/t18-/m1/s1
InChIKeyOCAUSWXVIPLBAM-GOSISDBHSA-N
MW337.42 g/mol
LogP1.73
Rot. Bonds5

About 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide

4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 126445059) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID126445059
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCNC(=O)Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCNC3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-21-19(24)12-14-2-4-15(5-3-14)16-6-8-17(9-7-16)20(25)23-18-10-11-22-13-18/h2-9,18,22H,10-13H2,1H3,(H,21,24)(H,23,25)/t18-/m1/s1
InChIKeyOCAUSWXVIPLBAM-GOSISDBHSA-N
XLogP1.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 162755757
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 126445059) is 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide is CNC(=O)Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCNC3)cc2)cc1.
What is the InChIKey of 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is OCAUSWXVIPLBAM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-21-19(24)12-14-2-4-15(5-3-14)16-6-8-17(9-7-16)20(25)23-18-10-11-22-13-18/h2-9,18,22H,10-13H2,1H3,(H,21,24)(H,23,25)/t18-/m1/s1.
What are the key properties of 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide?
4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(methylamino)-2-oxoethyl]phenyl]-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 126445059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).