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

C18H15BrClN3O3 — CID 154859735

IUPAC2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
SMILESCc1cc(Br)c(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)cc1Cl
InChIInChI=1S/C18H15BrClN3O3/c1-9-6-13(19)12(8-14(9)20)15(24)21-11-5-3-4-10(7-11)18(2)16(25)22-17(26)23-18/h3-8H,1-2H3,(H,21,24)(H2,22,23,25,26)
InChIKeySMCFXXGUSFVTTA-UHFFFAOYSA-N
MW436.69 g/mol
LogP3.72
Rot. Bonds3

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

2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide (PubChem CID 154859735) has the molecular formula C18H15BrClN3O3 and a molecular weight of 436.69 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
PubChem CID154859735
Molecular FormulaC18H15BrClN3O3
Molecular Weight436.69 g/mol
Exact Mass435.00
IUPAC Name2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
SMILESCc1cc(Br)c(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)cc1Cl
InChIInChI=1S/C18H15BrClN3O3/c1-9-6-13(19)12(8-14(9)20)15(24)21-11-5-3-4-10(7-11)18(2)16(25)22-17(26)23-18/h3-8H,1-2H3,(H,21,24)(H2,22,23,25,26)
InChIKeySMCFXXGUSFVTTA-UHFFFAOYSA-N
XLogP3.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
CID 55735649
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55962762
4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide
CID 55735610
2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
CID 119292140
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
1,3-dimethyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51949345

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide (CID 154859735) is 2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide is Cc1cc(Br)c(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide?
The InChIKey is SMCFXXGUSFVTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O3/c1-9-6-13(19)12(8-14(9)20)15(24)21-11-5-3-4-10(7-11)18(2)16(25)22-17(26)23-18/h3-8H,1-2H3,(H,21,24)(H2,22,23,25,26).
What are the key properties of 2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide?
2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide has a molecular weight of 436.69 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide is sourced from PubChem (CID 154859735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).