N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C15H18ClN3O5 — CID 97139392

IUPACN-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(OC[C@@H](O)CNC(=O)CN2C(=O)CNC2=O)ccc1Cl
InChIInChI=1S/C15H18ClN3O5/c1-9-4-11(2-3-12(9)16)24-8-10(20)5-17-13(21)7-19-14(22)6-18-15(19)23/h2-4,10,20H,5-8H2,1H3,(H,17,21)(H,18,23)/t10-/m0/s1
InChIKeyWPWNPWPZRJTDBT-JTQLQIEISA-N
MW355.78 g/mol
LogP0.06
Rot. Bonds7

About N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 97139392) has the molecular formula C15H18ClN3O5 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID97139392
Molecular FormulaC15H18ClN3O5
Molecular Weight355.78 g/mol
Exact Mass355.09
IUPAC NameN-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(OC[C@@H](O)CNC(=O)CN2C(=O)CNC2=O)ccc1Cl
InChIInChI=1S/C15H18ClN3O5/c1-9-4-11(2-3-12(9)16)24-8-10(20)5-17-13(21)7-19-14(22)6-18-15(19)23/h2-4,10,20H,5-8H2,1H3,(H,17,21)(H,18,23)/t10-/m0/s1
InChIKeyWPWNPWPZRJTDBT-JTQLQIEISA-N
XLogP0.06
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 50.06
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

N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 131909123
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
CID 119060836
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 56757268
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-[1-(methoxymethyl)cyclopentyl]urea
CID 122560545
1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
CID 83013958
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79101456
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74235431

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 97139392) is N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is Cc1cc(OC[C@@H](O)CNC(=O)CN2C(=O)CNC2=O)ccc1Cl.
What is the InChIKey of N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is WPWNPWPZRJTDBT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18ClN3O5/c1-9-4-11(2-3-12(9)16)24-8-10(20)5-17-13(21)7-19-14(22)6-18-15(19)23/h2-4,10,20H,5-8H2,1H3,(H,17,21)(H,18,23)/t10-/m0/s1.
What are the key properties of N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 355.78 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 97139392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).