2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide

C20H21BrFN5O3 — CID 23910151

IUPAC2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide
SMILESNCCNC(=O)C1N(C(=O)Nc2cccc(Br)c2)CCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C20H21BrFN5O3/c21-14-4-2-6-16(12-14)25-20(30)27-10-9-26(18(27)17(28)24-8-7-23)19(29)13-3-1-5-15(22)11-13/h1-6,11-12,18H,7-10,23H2,(H,24,28)(H,25,30)
InChIKeyNHHCUHAVTOOCOP-UHFFFAOYSA-N
MW478.32 g/mol
LogP1.98
Rot. Bonds5

About 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide

2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23910151) has the molecular formula C20H21BrFN5O3 and a molecular weight of 478.32 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide
PubChem CID23910151
Molecular FormulaC20H21BrFN5O3
Molecular Weight478.32 g/mol
Exact Mass477.08
IUPAC Name2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide
SMILESNCCNC(=O)C1N(C(=O)Nc2cccc(Br)c2)CCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C20H21BrFN5O3/c21-14-4-2-6-16(12-14)25-20(30)27-10-9-26(18(27)17(28)24-8-7-23)19(29)13-3-1-5-15(22)11-13/h1-6,11-12,18H,7-10,23H2,(H,24,28)(H,25,30)
InChIKeyNHHCUHAVTOOCOP-UHFFFAOYSA-N
XLogP1.98
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.32
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-aminoethyl)-3-(3-bromobenzoyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23931787
2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-N-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide
CID 23988623
N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
CID 23884474
2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23995498
2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
CID 23908107
2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23735131
2-N-(2-aminoethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23939516
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23936872
2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23821876
3-[[1-(3-fluorobenzoyl)-3-[(4-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 23964733
2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
CID 23764422
N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(3,4-dimethoxybenzoyl)imidazolidine-2-carboxamide
CID 23737103

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide (CID 23910151) is 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide is NCCNC(=O)C1N(C(=O)Nc2cccc(Br)c2)CCN1C(=O)c1cccc(F)c1.
What is the InChIKey of 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is NHHCUHAVTOOCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFN5O3/c21-14-4-2-6-16(12-14)25-20(30)27-10-9-26(18(27)17(28)24-8-7-23)19(29)13-3-1-5-15(22)11-13/h1-6,11-12,18H,7-10,23H2,(H,24,28)(H,25,30).
What are the key properties of 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide?
2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 478.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23910151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).