2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid

C20H17Cl4N3O4 — CID 70132132

IUPAC2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
SMILESO=C(NC(CCN1CCN(c2c(Cl)cccc2Cl)C1=O)C(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H17Cl4N3O4/c21-11-3-1-4-12(22)16(11)18(28)25-15(19(29)30)7-8-26-9-10-27(20(26)31)17-13(23)5-2-6-14(17)24/h1-6,15H,7-10H2,(H,25,28)(H,29,30)
InChIKeyUVEGTGSIYWVTMN-UHFFFAOYSA-N
MW505.19 g/mol
LogP4.82
Rot. Bonds7

About 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid

2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid (PubChem CID 70132132) has the molecular formula C20H17Cl4N3O4 and a molecular weight of 505.19 g/mol. Its IUPAC name is 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
PubChem CID70132132
Molecular FormulaC20H17Cl4N3O4
Molecular Weight505.19 g/mol
Exact Mass503.00
IUPAC Name2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
SMILESO=C(NC(CCN1CCN(c2c(Cl)cccc2Cl)C1=O)C(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H17Cl4N3O4/c21-11-3-1-4-12(22)16(11)18(28)25-15(19(29)30)7-8-26-9-10-27(20(26)31)17-13(23)5-2-6-14(17)24/h1-6,15H,7-10H2,(H,25,28)(H,29,30)
InChIKeyUVEGTGSIYWVTMN-UHFFFAOYSA-N
XLogP4.82
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.19
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid with MolForge

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Related Compounds

3-[3-[2-carboxy-2-[(2,6-dichlorobenzoyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-2-[(2,6-dimethoxybenzoyl)amino]propanoic acid
CID 70131290
(2S)-2-[(2,6-dichlorobenzoyl)amino]-11-(1-methyl-5-oxo-4H-imidazol-2-yl)undecanoic acid
CID 162266110
(2R)-2-[(2,6-dichlorobenzoyl)amino]-10-[(1-methyl-6-oxo-2,5-dihydropyrazin-3-yl)amino]decanoic acid
CID 146451850
(2R)-3-[(2S)-2-carboxy-2-[(2,6-dichlorobenzoyl)amino]ethyl]sulfanyl-2-[(2,6-dimethoxybenzoyl)amino]propanoic acid
CID 70123719
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[[(isocyanoamino)-pyrrolidin-1-ylmethylidene]amino]propanoic acid
CID 59640704
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanedioic acid
CID 113226112
3-(2-adamantylcarbamoylamino)-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 139490554
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
(2R)-3-[(2R)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]sulfanyl-2-[(2,6-dimethoxybenzoyl)amino]propanoic acid
CID 70124443
5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 65498843
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(1,3,5-trioxoimidazo[1,5-a]pyridin-2-yl)phenyl]propanoic acid
CID 58915072
(2S)-3-[4-[(2-chloro-6-methylbenzoyl)amino]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 54097884

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
The IUPAC name of 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid (CID 70132132) is 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
The canonical SMILES for 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid is O=C(NC(CCN1CCN(c2c(Cl)cccc2Cl)C1=O)C(=O)O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
The InChIKey is UVEGTGSIYWVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl4N3O4/c21-11-3-1-4-12(22)16(11)18(28)25-15(19(29)30)7-8-26-9-10-27(20(26)31)17-13(23)5-2-6-14(17)24/h1-6,15H,7-10H2,(H,25,28)(H,29,30).
What are the key properties of 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid has a molecular weight of 505.19 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorobenzoyl)amino]-4-[3-(2,6-dichlorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid is sourced from PubChem (CID 70132132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).