N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide

C10H11ClN3O2+ — CID 7345091

IUPACN-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide
SMILESO=C1C[NH2+]CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-3-8(4-7)13-10(16)14-6-12-5-9(14)15/h1-4,12H,5-6H2,(H,13,16)/p+1
InChIKeySAUHTYRYTIVGGZ-UHFFFAOYSA-O
MW240.67 g/mol
LogP0.23
Rot. Bonds1

About N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide

N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide (PubChem CID 7345091) has the molecular formula C10H11ClN3O2+ and a molecular weight of 240.67 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide
PubChem CID7345091
Molecular FormulaC10H11ClN3O2+
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC NameN-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide
SMILESO=C1C[NH2+]CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-3-8(4-7)13-10(16)14-6-12-5-9(14)15/h1-4,12H,5-6H2,(H,13,16)/p+1
InChIKeySAUHTYRYTIVGGZ-UHFFFAOYSA-O
XLogP0.23
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
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N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
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2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide (CID 7345091) is N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide is O=C1C[NH2+]CN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide?
The InChIKey is SAUHTYRYTIVGGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-2-1-3-8(4-7)13-10(16)14-6-12-5-9(14)15/h1-4,12H,5-6H2,(H,13,16)/p+1.
What are the key properties of N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide?
N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide has a molecular weight of 240.67 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide is sourced from PubChem (CID 7345091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).