N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide

C18H17BrN2O4 — CID 1109163

IUPACN-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccco1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H17BrN2O4/c1-2-16(22)20(11-14-4-3-9-25-14)15-10-17(23)21(18(15)24)13-7-5-12(19)6-8-13/h3-9,15H,2,10-11H2,1H3/t15-/m1/s1
InChIKeyXGOCJBSAKNJXAW-OAHLLOKOSA-N
MW405.25 g/mol
LogP3.11
Rot. Bonds5

About N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide

N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 1109163) has the molecular formula C18H17BrN2O4 and a molecular weight of 405.25 g/mol. Its IUPAC name is N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID1109163
Molecular FormulaC18H17BrN2O4
Molecular Weight405.25 g/mol
Exact Mass404.04
IUPAC NameN-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccco1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H17BrN2O4/c1-2-16(22)20(11-14-4-3-9-25-14)15-10-17(23)21(18(15)24)13-7-5-12(19)6-8-13/h3-9,15H,2,10-11H2,1H3/t15-/m1/s1
InChIKeyXGOCJBSAKNJXAW-OAHLLOKOSA-N
XLogP3.11
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2866571
N-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1364893
4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoic acid
CID 4676004
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 3121023
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23830936
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 23915164
4-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-(furan-2-ylmethyl)amino]-4-oxobutanoate
CID 6973834
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3121019
1-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-3-phenylthiourea
CID 3408660
N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23802125
N-(furan-2-ylmethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23915182
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 25036334

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 1109163) is N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide is CCC(=O)N(Cc1ccco1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is XGOCJBSAKNJXAW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17BrN2O4/c1-2-16(22)20(11-14-4-3-9-25-14)15-10-17(23)21(18(15)24)13-7-5-12(19)6-8-13/h3-9,15H,2,10-11H2,1H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 405.25 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 1109163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).