N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

C18H16BrN3O2 — CID 5338192

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16BrN3O2/c19-15-4-1-3-13(11-15)12-20-21-18(24)14-6-8-16(9-7-14)22-10-2-5-17(22)23/h1,3-4,6-9,11-12H,2,5,10H2,(H,21,24)/b20-12+
InChIKeyGUKKIGYAPSDKOF-UDWIEESQSA-N
MW386.25 g/mol
LogP3.34
Rot. Bonds4

About N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 5338192) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID5338192
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16BrN3O2/c19-15-4-1-3-13(11-15)12-20-21-18(24)14-6-8-16(9-7-14)22-10-2-5-17(22)23/h1,3-4,6-9,11-12H,2,5,10H2,(H,21,24)/b20-12+
InChIKeyGUKKIGYAPSDKOF-UDWIEESQSA-N
XLogP3.34
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 5338192) is N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(N/N=C/c1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is GUKKIGYAPSDKOF-UDWIEESQSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-15-4-1-3-13(11-15)12-20-21-18(24)14-6-8-16(9-7-14)22-10-2-5-17(22)23/h1,3-4,6-9,11-12H,2,5,10H2,(H,21,24)/b20-12+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 386.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 5338192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).