3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide

C23H23BrN2O4 — CID 118878842

IUPAC3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide
SMILESCOc1cc(C(=O)N2CC(=O)C[C@@H]2c2cccc(C(=O)NCC3CC3)c2)ccc1Br
InChIInChI=1S/C23H23BrN2O4/c1-30-21-10-17(7-8-19(21)24)23(29)26-13-18(27)11-20(26)15-3-2-4-16(9-15)22(28)25-12-14-5-6-14/h2-4,7-10,14,20H,5-6,11-13H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyWGSWBRKSZDALON-HXUWFJFHSA-N
MW471.35 g/mol
LogP3.75
Rot. Bonds6

About 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide

3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide (PubChem CID 118878842) has the molecular formula C23H23BrN2O4 and a molecular weight of 471.35 g/mol. Its IUPAC name is 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide
PubChem CID118878842
Molecular FormulaC23H23BrN2O4
Molecular Weight471.35 g/mol
Exact Mass470.08
IUPAC Name3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide
SMILESCOc1cc(C(=O)N2CC(=O)C[C@@H]2c2cccc(C(=O)NCC3CC3)c2)ccc1Br
InChIInChI=1S/C23H23BrN2O4/c1-30-21-10-17(7-8-19(21)24)23(29)26-13-18(27)11-20(26)15-3-2-4-16(9-15)22(28)25-12-14-5-6-14/h2-4,7-10,14,20H,5-6,11-13H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyWGSWBRKSZDALON-HXUWFJFHSA-N
XLogP3.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide
CID 118878840
3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-methylpyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide
CID 145021791
N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide
CID 118878915
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide (CID 118878842) is 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide is COc1cc(C(=O)N2CC(=O)C[C@@H]2c2cccc(C(=O)NCC3CC3)c2)ccc1Br.
What is the InChIKey of 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide?
The InChIKey is WGSWBRKSZDALON-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23BrN2O4/c1-30-21-10-17(7-8-19(21)24)23(29)26-13-18(27)11-20(26)15-3-2-4-16(9-15)22(28)25-12-14-5-6-14/h2-4,7-10,14,20H,5-6,11-13H2,1H3,(H,25,28)/t20-/m1/s1.
What are the key properties of 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide?
3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide has a molecular weight of 471.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(4-bromo-3-methoxybenzoyl)-4-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 118878842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).