5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide

C33H38ClN3O4 — CID 164916966

IUPAC5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide
SMILESCCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN2CC(=O)N2CCC(c3ccccc3)(c3ccccc3)C2)c1O
InChIInChI=1S/C33H38ClN3O4/c1-3-23-19-27(34)31(41-2)29(30(23)39)32(40)35-20-26-15-10-17-36(26)21-28(38)37-18-16-33(22-37,24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,19,26,39H,3,10,15-18,20-22H2,1-2H3,(H,35,40)
InChIKeyQUWDNVLTBILVHN-UHFFFAOYSA-N
MW576.14 g/mol
LogP5.03
Rot. Bonds9

About 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide

5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide (PubChem CID 164916966) has the molecular formula C33H38ClN3O4 and a molecular weight of 576.14 g/mol. Its IUPAC name is 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide
PubChem CID164916966
Molecular FormulaC33H38ClN3O4
Molecular Weight576.14 g/mol
Exact Mass575.26
IUPAC Name5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide
SMILESCCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN2CC(=O)N2CCC(c3ccccc3)(c3ccccc3)C2)c1O
InChIInChI=1S/C33H38ClN3O4/c1-3-23-19-27(34)31(41-2)29(30(23)39)32(40)35-20-26-15-10-17-36(26)21-28(38)37-18-16-33(22-37,24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,19,26,39H,3,10,15-18,20-22H2,1-2H3,(H,35,40)
InChIKeyQUWDNVLTBILVHN-UHFFFAOYSA-N
XLogP5.03
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.14
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide with MolForge

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Related Compounds

5-chloro-3-ethyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 6093347
3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
CID 11440307
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3-bromo-2-hydroxy-5,6-dimethoxybenzamide
CID 14894161
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-iodo-6-methoxybenzamide
CID 10345188
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
3,5-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
CID 88691958
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroxy-6-methoxybenzamide
CID 10022203
2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide
CID 52942307
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
CID 19738289
4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide
CID 18983069
[4,6-dichloro-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-3-methoxyphenyl] 2-ethylhexanoate
CID 18639889

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide (CID 164916966) is 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide is CCc1cc(Cl)c(OC)c(C(=O)NCC2CCCN2CC(=O)N2CCC(c3ccccc3)(c3ccccc3)C2)c1O.
What is the InChIKey of 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide?
The InChIKey is QUWDNVLTBILVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN3O4/c1-3-23-19-27(34)31(41-2)29(30(23)39)32(40)35-20-26-15-10-17-36(26)21-28(38)37-18-16-33(22-37,24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,19,26,39H,3,10,15-18,20-22H2,1-2H3,(H,35,40).
What are the key properties of 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide?
5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide has a molecular weight of 576.14 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 164916966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).