2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide

C20H21F2N5O3 — CID 23995498

IUPAC2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
SMILESNCCNC(=O)C1N(C(=O)Nc2ccc(F)cc2)CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H21F2N5O3/c21-14-3-1-13(2-4-14)19(29)26-11-12-27(18(26)17(28)24-10-9-23)20(30)25-16-7-5-15(22)6-8-16/h1-8,18H,9-12,23H2,(H,24,28)(H,25,30)
InChIKeyRLHPMAOWEWPFSC-UHFFFAOYSA-N
MW417.42 g/mol
LogP1.36
Rot. Bonds5

About 2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide

2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23995498) has the molecular formula C20H21F2N5O3 and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
PubChem CID23995498
Molecular FormulaC20H21F2N5O3
Molecular Weight417.42 g/mol
Exact Mass417.16
IUPAC Name2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
SMILESNCCNC(=O)C1N(C(=O)Nc2ccc(F)cc2)CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H21F2N5O3/c21-14-3-1-13(2-4-14)19(29)26-11-12-27(18(26)17(28)24-10-9-23)20(30)25-16-7-5-15(22)6-8-16/h1-8,18H,9-12,23H2,(H,24,28)(H,25,30)
InChIKeyRLHPMAOWEWPFSC-UHFFFAOYSA-N
XLogP1.36
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-benzoyl-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23770863
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23762658
2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide
CID 23910151
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23936872
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
CID 23798658
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-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
CID 23932909
N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23738515
N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(3,4-dimethoxybenzoyl)imidazolidine-2-carboxamide
CID 23737103
2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23735131
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-bromophenyl)-3-N-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide
CID 23988623

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide (CID 23995498) is 2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide is NCCNC(=O)C1N(C(=O)Nc2ccc(F)cc2)CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is RLHPMAOWEWPFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3/c21-14-3-1-13(2-4-14)19(29)26-11-12-27(18(26)17(28)24-10-9-23)20(30)25-16-7-5-15(22)6-8-16/h1-8,18H,9-12,23H2,(H,24,28)(H,25,30).
What are the key properties of 2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide?
2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 417.42 g/mol, XLogP of 1.36, 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)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23995498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).