N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

C13H16BrN3O2 — CID 86783977

IUPACN-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCNc1ccc(Br)cc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H16BrN3O2/c1-2-15-10-4-3-9(14)6-11(10)17-13(19)8-5-12(18)16-7-8/h3-4,6,8,15H,2,5,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyGJJBWYZPROHVRN-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.96
Rot. Bonds4

About N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 86783977) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID86783977
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC NameN-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCNc1ccc(Br)cc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H16BrN3O2/c1-2-15-10-4-3-9(14)6-11(10)17-13(19)8-5-12(18)16-7-8/h3-4,6,8,15H,2,5,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyGJJBWYZPROHVRN-UHFFFAOYSA-N
XLogP1.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97084480
5-bromo-2-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83191690
N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191905
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 104938731
N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981643
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 102848007
N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981915
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 166062145

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 86783977) is N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is CCNc1ccc(Br)cc1NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GJJBWYZPROHVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-2-15-10-4-3-9(14)6-11(10)17-13(19)8-5-12(18)16-7-8/h3-4,6,8,15H,2,5,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86783977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).