4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide

C20H20BrN3O3 — CID 27838036

IUPAC4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20BrN3O3/c21-15-5-3-14(4-6-15)20(27)22-12-11-18(25)23-16-7-9-17(10-8-16)24-13-1-2-19(24)26/h3-10H,1-2,11-13H2,(H,22,27)(H,23,25)
InChIKeyLRIUDYHCEHHXDK-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.33
Rot. Bonds6

About 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide

4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide (PubChem CID 27838036) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
PubChem CID27838036
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20BrN3O3/c21-15-5-3-14(4-6-15)20(27)22-12-11-18(25)23-16-7-9-17(10-8-16)24-13-1-2-19(24)26/h3-10H,1-2,11-13H2,(H,22,27)(H,23,25)
InChIKeyLRIUDYHCEHHXDK-UHFFFAOYSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
CID 27838033
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536
sodium;N-(4-bromophenyl)-4-chlorobutanamide;1-(4-bromophenyl)pyrrolidin-2-one;hydride;oxolane
CID 159953883
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide (CID 27838036) is 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide?
The InChIKey is LRIUDYHCEHHXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c21-15-5-3-14(4-6-15)20(27)22-12-11-18(25)23-16-7-9-17(10-8-16)24-13-1-2-19(24)26/h3-10H,1-2,11-13H2,(H,22,27)(H,23,25).
What are the key properties of 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide?
4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide has a molecular weight of 430.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide is sourced from PubChem (CID 27838036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).