N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide

C19H17BrN4O2 — CID 17437537

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C19H17BrN4O2/c1-13-9-14(20)7-8-16(13)23-18(25)11-22-19(26)17-10-21-12-24(17)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyCLRJDTQSXXXLPO-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide (PubChem CID 17437537) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide
PubChem CID17437537
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C19H17BrN4O2/c1-13-9-14(20)7-8-16(13)23-18(25)11-22-19(26)17-10-21-12-24(17)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyCLRJDTQSXXXLPO-UHFFFAOYSA-N
XLogP3.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27781334
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 27781619
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110863038
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614530
N-(4-bromo-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9428744
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55757786
1-benzyl-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34400540
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070999
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide
CID 16548195
N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide
CID 32987382

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide (CID 17437537) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is CLRJDTQSXXXLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c1-13-9-14(20)7-8-16(13)23-18(25)11-22-19(26)17-10-21-12-24(17)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 413.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 17437537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).