N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide

C23H26BrN3O3 — CID 174665004

IUPACN-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide
SMILESCC(C)CC(=O)N1CN(c2ccccc2)CC1C(=O)NCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H26BrN3O3/c1-16(2)12-22(29)27-15-26(19-6-4-3-5-7-19)14-20(27)23(30)25-13-21(28)17-8-10-18(24)11-9-17/h3-11,16,20H,12-15H2,1-2H3,(H,25,30)
InChIKeyZITQAENJZVJNSW-UHFFFAOYSA-N
MW472.38 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide

N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide (PubChem CID 174665004) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.38 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide
PubChem CID174665004
Molecular FormulaC23H26BrN3O3
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC NameN-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide
SMILESCC(C)CC(=O)N1CN(c2ccccc2)CC1C(=O)NCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H26BrN3O3/c1-16(2)12-22(29)27-15-26(19-6-4-3-5-7-19)14-20(27)23(30)25-13-21(28)17-8-10-18(24)11-9-17/h3-11,16,20H,12-15H2,1-2H3,(H,25,30)
InChIKeyZITQAENJZVJNSW-UHFFFAOYSA-N
XLogP3.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide (CID 174665004) is N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide is CC(C)CC(=O)N1CN(c2ccccc2)CC1C(=O)NCC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide?
The InChIKey is ZITQAENJZVJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c1-16(2)12-22(29)27-15-26(19-6-4-3-5-7-19)14-20(27)23(30)25-13-21(28)17-8-10-18(24)11-9-17/h3-11,16,20H,12-15H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide?
N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide has a molecular weight of 472.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-methylbutanoyl)-1-phenylimidazolidine-4-carboxamide is sourced from PubChem (CID 174665004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).