N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide

C20H18F4N4O3 — CID 23936872

IUPACN-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
SMILESNCCNC(=O)C1N(C(=O)c2cc(F)cc(F)c2)CCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H18F4N4O3/c21-13-7-12(8-14(22)10-13)20(31)28-6-5-27(18(28)17(29)26-4-3-25)19(30)11-1-2-15(23)16(24)9-11/h1-2,7-10,18H,3-6,25H2,(H,26,29)
InChIKeyIGWNBALQAAMPLQ-UHFFFAOYSA-N
MW438.38 g/mol
LogP1.24
Rot. Bonds5

About N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide

N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide (PubChem CID 23936872) has the molecular formula C20H18F4N4O3 and a molecular weight of 438.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
PubChem CID23936872
Molecular FormulaC20H18F4N4O3
Molecular Weight438.38 g/mol
Exact Mass438.13
IUPAC NameN-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
SMILESNCCNC(=O)C1N(C(=O)c2cc(F)cc(F)c2)CCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C20H18F4N4O3/c21-13-7-12(8-14(22)10-13)20(31)28-6-5-27(18(28)17(29)26-4-3-25)19(30)11-1-2-15(23)16(24)9-11/h1-2,7-10,18H,3-6,25H2,(H,26,29)
InChIKeyIGWNBALQAAMPLQ-UHFFFAOYSA-N
XLogP1.24
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23762658
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
N-(2-aminoethyl)-1-(2,4-dichlorobenzoyl)-3-(3,5-difluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23904922
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23770863
N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide
CID 23987636
2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23995498
2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide
CID 23910151
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
CID 23884474
N-[[3-(aminomethyl)phenyl]methyl]-1-(3,5-difluorobenzoyl)-3-(pyridine-4-carbonyl)imidazolidine-2-carboxamide
CID 23963930
2-N-(2-aminoethyl)-3-(3-bromobenzoyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23931787

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide (CID 23936872) is N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide is NCCNC(=O)C1N(C(=O)c2cc(F)cc(F)c2)CCN1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide?
The InChIKey is IGWNBALQAAMPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O3/c21-13-7-12(8-14(22)10-13)20(31)28-6-5-27(18(28)17(29)26-4-3-25)19(30)11-1-2-15(23)16(24)9-11/h1-2,7-10,18H,3-6,25H2,(H,26,29).
What are the key properties of N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide?
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide has a molecular weight of 438.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23936872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).