3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide

C19H18ClN3O4 — CID 55961363

IUPAC3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
SMILESCC1(c2cccc(NC(=O)CCOc3cccc(Cl)c3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H18ClN3O4/c1-19(17(25)22-18(26)23-19)12-4-2-6-14(10-12)21-16(24)8-9-27-15-7-3-5-13(20)11-15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H2,22,23,25,26)
InChIKeyIWIKPASMIBHJJO-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.80
Rot. Bonds6

About 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide

3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide (PubChem CID 55961363) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
PubChem CID55961363
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
SMILESCC1(c2cccc(NC(=O)CCOc3cccc(Cl)c3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H18ClN3O4/c1-19(17(25)22-18(26)23-19)12-4-2-6-14(10-12)21-16(24)8-9-27-15-7-3-5-13(20)11-15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H2,22,23,25,26)
InChIKeyIWIKPASMIBHJJO-UHFFFAOYSA-N
XLogP2.80
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
CID 60513548
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752
3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949276
N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide
CID 6991484
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 51949326
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949406
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
3-(3-chlorophenoxy)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]propanamide
CID 166221886

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide (CID 55961363) is 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide is CC1(c2cccc(NC(=O)CCOc3cccc(Cl)c3)c2)NC(=O)NC1=O.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide?
The InChIKey is IWIKPASMIBHJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-19(17(25)22-18(26)23-19)12-4-2-6-14(10-12)21-16(24)8-9-27-15-7-3-5-13(20)11-15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H2,22,23,25,26).
What are the key properties of 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide?
3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide has a molecular weight of 387.82 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide is sourced from PubChem (CID 55961363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).