(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide

C17H20ClF2N3O3 — CID 175417199

IUPAC(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(C[C@H]2CCCOC2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C17H20ClF2N3O3/c18-14-11(19)4-3-10(15(14)20)12(6-9-2-1-5-26-8-9)22-16(24)13-7-21-17(25)23-13/h3-4,9,12-13H,1-2,5-8H2,(H,22,24)(H2,21,23,25)/t9-,12?,13+/m1/s1
InChIKeyDMASSDIBEHUJLE-SDGSVYFJSA-N
MW387.81 g/mol
LogP2.27
Rot. Bonds5

About (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 175417199) has the molecular formula C17H20ClF2N3O3 and a molecular weight of 387.81 g/mol. Its IUPAC name is (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID175417199
Molecular FormulaC17H20ClF2N3O3
Molecular Weight387.81 g/mol
Exact Mass387.12
IUPAC Name(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(C[C@H]2CCCOC2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C17H20ClF2N3O3/c18-14-11(19)4-3-10(15(14)20)12(6-9-2-1-5-26-8-9)22-16(24)13-7-21-17(25)23-13/h3-4,9,12-13H,1-2,5-8H2,(H,22,24)(H2,21,23,25)/t9-,12?,13+/m1/s1
InChIKeyDMASSDIBEHUJLE-SDGSVYFJSA-N
XLogP2.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.81
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-[(3S)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 167527843
(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide
CID 167527852
N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 175417237
(4S)-N-[(R)-(3-chloro-2,4-difluorophenyl)-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 167527916
N-[(R)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417229
(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 166905152
(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2,2-difluorospiro[3.3]heptan-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 166908040
N-[(R)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417227
N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417223
(4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520859
N-[(R)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417187
(4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520756

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide (CID 175417199) is (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(C[C@H]2CCCOC2)c2ccc(F)c(Cl)c2F)N1.
What is the InChIKey of (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is DMASSDIBEHUJLE-SDGSVYFJSA-N. The full InChI is InChI=1S/C17H20ClF2N3O3/c18-14-11(19)4-3-10(15(14)20)12(6-9-2-1-5-26-8-9)22-16(24)13-7-21-17(25)23-13/h3-4,9,12-13H,1-2,5-8H2,(H,22,24)(H2,21,23,25)/t9-,12?,13+/m1/s1.
What are the key properties of (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 387.81 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 175417199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).