3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide

C16H20ClN3O4 — CID 75490651

IUPAC3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCCO
InChIInChI=1S/C16H20ClN3O4/c17-12-5-2-1-4-11(12)10-20-15(23)13(19-16(20)24)6-7-14(22)18-8-3-9-21/h1-2,4-5,13,21H,3,6-10H2,(H,18,22)(H,19,24)/t13-/m0/s1
InChIKeySENIREYKFHYUQO-ZDUSSCGKSA-N
MW353.81 g/mol
LogP1.04
Rot. Bonds8

About 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide

3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide (PubChem CID 75490651) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide
PubChem CID75490651
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCCO
InChIInChI=1S/C16H20ClN3O4/c17-12-5-2-1-4-11(12)10-20-15(23)13(19-16(20)24)6-7-14(22)18-8-3-9-21/h1-2,4-5,13,21H,3,6-10H2,(H,18,22)(H,19,24)/t13-/m0/s1
InChIKeySENIREYKFHYUQO-ZDUSSCGKSA-N
XLogP1.04
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124861341
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 91823037
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 97496369
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195
3-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,5-dimethylpyrazol-3-yl)propanamide
CID 124862866
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 51836404
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 91641162
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 91640727
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75488771
3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124862016
(5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
CID 97489497

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide (CID 75490651) is 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide is O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCCO.
What is the InChIKey of 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide?
The InChIKey is SENIREYKFHYUQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c17-12-5-2-1-4-11(12)10-20-15(23)13(19-16(20)24)6-7-14(22)18-8-3-9-21/h1-2,4-5,13,21H,3,6-10H2,(H,18,22)(H,19,24)/t13-/m0/s1.
What are the key properties of 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide?
3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide has a molecular weight of 353.81 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 75490651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).