4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide

C17H13BrClN3O3 — CID 60509721

IUPAC4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H13BrClN3O3/c18-11-4-5-13(14(19)7-11)16(24)21-12-3-1-2-10(6-12)9-22-15(23)8-20-17(22)25/h1-7H,8-9H2,(H,20,25)(H,21,24)
InChIKeyQNTONDPOVJVEOF-UHFFFAOYSA-N
MW422.67 g/mol
LogP3.41
Rot. Bonds4

About 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide

4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide (PubChem CID 60509721) has the molecular formula C17H13BrClN3O3 and a molecular weight of 422.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
PubChem CID60509721
Molecular FormulaC17H13BrClN3O3
Molecular Weight422.67 g/mol
Exact Mass420.98
IUPAC Name4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H13BrClN3O3/c18-11-4-5-13(14(19)7-11)16(24)21-12-3-1-2-10(6-12)9-22-15(23)8-20-17(22)25/h1-7H,8-9H2,(H,20,25)(H,21,24)
InChIKeyQNTONDPOVJVEOF-UHFFFAOYSA-N
XLogP3.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.67
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 55635640
1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide
CID 55617368
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
2-[(2-chlorophenyl)methoxy]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 47054953
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55617249
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 47054951
2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 60583658

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide (CID 60509721) is 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide is O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is QNTONDPOVJVEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O3/c18-11-4-5-13(14(19)7-11)16(24)21-12-3-1-2-10(6-12)9-22-15(23)8-20-17(22)25/h1-7H,8-9H2,(H,20,25)(H,21,24).
What are the key properties of 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide?
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 422.67 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 60509721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).