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

C20H18Cl2F2N4O3 — CID 23738515

IUPACN-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide
SMILESNCCNC(=O)C1N(C(=O)c2ccc(F)c(F)c2)CCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2F2N4O3/c21-13-3-1-11(9-14(13)22)19(30)27-7-8-28(18(27)17(29)26-6-5-25)20(31)12-2-4-15(23)16(24)10-12/h1-4,9-10,18H,5-8,25H2,(H,26,29)
InChIKeyGKPIRZUBXMANEU-UHFFFAOYSA-N
MW471.29 g/mol
LogP2.27
Rot. Bonds5

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

N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide (PubChem CID 23738515) has the molecular formula C20H18Cl2F2N4O3 and a molecular weight of 471.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide
PubChem CID23738515
Molecular FormulaC20H18Cl2F2N4O3
Molecular Weight471.29 g/mol
Exact Mass470.07
IUPAC NameN-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide
SMILESNCCNC(=O)C1N(C(=O)c2ccc(F)c(F)c2)CCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2F2N4O3/c21-13-3-1-11(9-14(13)22)19(30)27-7-8-28(18(27)17(29)26-6-5-25)20(31)12-2-4-15(23)16(24)10-12/h1-4,9-10,18H,5-8,25H2,(H,26,29)
InChIKeyGKPIRZUBXMANEU-UHFFFAOYSA-N
XLogP2.27
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23936872
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23762658
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23770863
N-(2-aminoethyl)-1-(2,4-dichlorobenzoyl)-3-(3,5-difluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23904922
N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(3,4-dimethoxybenzoyl)imidazolidine-2-carboxamide
CID 23737103
2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23995498
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
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 119351543
N-(2-aminoethyl)-1-(3,5-difluorobenzoyl)-3-(5-methyl-1,2-oxazole-3-carbonyl)imidazolidine-2-carboxamide
CID 23987636
1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119503508

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide (CID 23738515) is N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide is NCCNC(=O)C1N(C(=O)c2ccc(F)c(F)c2)CCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide?
The InChIKey is GKPIRZUBXMANEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F2N4O3/c21-13-3-1-11(9-14(13)22)19(30)27-7-8-28(18(27)17(29)26-6-5-25)20(31)12-2-4-15(23)16(24)10-12/h1-4,9-10,18H,5-8,25H2,(H,26,29).
What are the key properties of N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide?
N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide has a molecular weight of 471.29 g/mol, XLogP of 2.27, 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-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23738515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).