(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide

C18H23ClF2N4O3 — CID 71452628

IUPAC(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CCN2CCOCC2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIInChI=1S/C18H23ClF2N4O3/c1-23-14(11-25(18(23)27)5-4-24-6-8-28-9-7-24)17(26)22-10-12-2-3-13(20)16(21)15(12)19/h2-3,14H,4-11H2,1H3,(H,22,26)/t14-/m0/s1
InChIKeyUAACXBCDFIRZCR-AWEZNQCLSA-N
MW416.86 g/mol
LogP1.30
Rot. Bonds6

About (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 71452628) has the molecular formula C18H23ClF2N4O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID71452628
Molecular FormulaC18H23ClF2N4O3
Molecular Weight416.86 g/mol
Exact Mass416.14
IUPAC Name(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CCN2CCOCC2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl
InChIInChI=1S/C18H23ClF2N4O3/c1-23-14(11-25(18(23)27)5-4-24-6-8-28-9-7-24)17(26)22-10-12-2-3-13(20)16(21)15(12)19/h2-3,14H,4-11H2,1H3,(H,22,26)/t14-/m0/s1
InChIKeyUAACXBCDFIRZCR-AWEZNQCLSA-N
XLogP1.30
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide (CID 71452628) is (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide is CN1C(=O)N(CCN2CCOCC2)C[C@H]1C(=O)NCc1ccc(F)c(F)c1Cl.
What is the InChIKey of (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is UAACXBCDFIRZCR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23ClF2N4O3/c1-23-14(11-25(18(23)27)5-4-24-6-8-28-9-7-24)17(26)22-10-12-2-3-13(20)16(21)15(12)19/h2-3,14H,4-11H2,1H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 416.86 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71452628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).