N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide

C17H15ClFN3O4 — CID 51833605

IUPACN-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15ClFN3O4/c18-12-8-10(3-4-13(12)19)20-15(23)6-5-14-16(24)22(17(25)21-14)9-11-2-1-7-26-11/h1-4,7-8,14H,5-6,9H2,(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyHNIYVSBSDUYQMR-CQSZACIVSA-N
MW379.78 g/mol
LogP2.91
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide

N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 51833605) has the molecular formula C17H15ClFN3O4 and a molecular weight of 379.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID51833605
Molecular FormulaC17H15ClFN3O4
Molecular Weight379.78 g/mol
Exact Mass379.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15ClFN3O4/c18-12-8-10(3-4-13(12)19)20-15(23)6-5-14-16(24)22(17(25)21-14)9-11-2-1-7-26-11/h1-4,7-8,14H,5-6,9H2,(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyHNIYVSBSDUYQMR-CQSZACIVSA-N
XLogP2.91
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 110209925
N-(1-benzylpiperidin-4-yl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531749
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 91821541
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969
N-(3-chloro-4-fluorophenyl)-2-[4-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide
CID 126270234
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 51829953
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 110210455
1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134892
N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429918
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75489558

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 51833605) is N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide is O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is HNIYVSBSDUYQMR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15ClFN3O4/c18-12-8-10(3-4-13(12)19)20-15(23)6-5-14-16(24)22(17(25)21-14)9-11-2-1-7-26-11/h1-4,7-8,14H,5-6,9H2,(H,20,23)(H,21,25)/t14-/m1/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 379.78 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 51833605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).