N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide

C22H17ClN4O4 — CID 166226982

IUPACN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
SMILESCC1(c2cccc(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)c2)NC(=O)NC1=O
InChIInChI=1S/C22H17ClN4O4/c1-22(20(29)26-21(30)27-22)14-4-2-3-13(11-14)19(28)25-16-6-8-17(9-7-16)31-18-10-5-15(23)12-24-18/h2-12H,1H3,(H,25,28)(H2,26,27,29,30)
InChIKeyPPYGBTRETALKBJ-UHFFFAOYSA-N
MW436.86 g/mol
LogP3.83
Rot. Bonds5

About N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide

N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide (PubChem CID 166226982) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
PubChem CID166226982
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC NameN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
SMILESCC1(c2cccc(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)c2)NC(=O)NC1=O
InChIInChI=1S/C22H17ClN4O4/c1-22(20(29)26-21(30)27-22)14-4-2-3-13(11-14)19(28)25-16-6-8-17(9-7-16)31-18-10-5-15(23)12-24-18/h2-12H,1H3,(H,25,28)(H2,26,27,29,30)
InChIKeyPPYGBTRETALKBJ-UHFFFAOYSA-N
XLogP3.83
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

6-(3-bromophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyridine-3-carboxamide
CID 55839599
6-amino-5-chloro-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 166216580
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 154850134
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 51949404
4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
3-(difluoromethoxy)-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
CID 55713821
3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
CID 55961363
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide
CID 6991484
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
CID 71994232
1-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]cyclopentane-1-carboxamide
CID 119864117

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide?
The IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide (CID 166226982) is N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide.
What is the SMILES notation for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide?
The canonical SMILES for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide is CC1(c2cccc(C(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)c2)NC(=O)NC1=O.
What is the InChIKey of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide?
The InChIKey is PPYGBTRETALKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c1-22(20(29)26-21(30)27-22)14-4-2-3-13(11-14)19(28)25-16-6-8-17(9-7-16)31-18-10-5-15(23)12-24-18/h2-12H,1H3,(H,25,28)(H2,26,27,29,30).
What are the key properties of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide?
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide has a molecular weight of 436.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide is sourced from PubChem (CID 166226982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).