1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide

C18H21ClF3N3O3 — CID 162509643

IUPAC1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@H](COC2CCC(F)(F)CC2)c2ccc(F)c(Cl)c2)C(=O)N1
InChIInChI=1S/C18H21ClF3N3O3/c19-12-7-10(1-2-13(12)20)15(25-8-14(16(23)26)24-17(25)27)9-28-11-3-5-18(21,22)6-4-11/h1-2,7,11,14-15H,3-6,8-9H2,(H2,23,26)(H,24,27)/t14?,15-/m1/s1
InChIKeyMVMYQPOUXHZXAP-YSSOQSIOSA-N
MW419.83 g/mol
LogP2.99
Rot. Bonds6

About 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide

1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509643) has the molecular formula C18H21ClF3N3O3 and a molecular weight of 419.83 g/mol. Its IUPAC name is 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509643
Molecular FormulaC18H21ClF3N3O3
Molecular Weight419.83 g/mol
Exact Mass419.12
IUPAC Name1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@H](COC2CCC(F)(F)CC2)c2ccc(F)c(Cl)c2)C(=O)N1
InChIInChI=1S/C18H21ClF3N3O3/c19-12-7-10(1-2-13(12)20)15(25-8-14(16(23)26)24-17(25)27)9-28-11-3-5-18(21,22)6-4-11/h1-2,7,11,14-15H,3-6,8-9H2,(H2,23,26)(H,24,27)/t14?,15-/m1/s1
InChIKeyMVMYQPOUXHZXAP-YSSOQSIOSA-N
XLogP2.99
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.83
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide (CID 162509643) is 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide is NC(=O)C1CN([C@H](COC2CCC(F)(F)CC2)c2ccc(F)c(Cl)c2)C(=O)N1.
What is the InChIKey of 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is MVMYQPOUXHZXAP-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H21ClF3N3O3/c19-12-7-10(1-2-13(12)20)15(25-8-14(16(23)26)24-17(25)27)9-28-11-3-5-18(21,22)6-4-11/h1-2,7,11,14-15H,3-6,8-9H2,(H2,23,26)(H,24,27)/t14?,15-/m1/s1.
What are the key properties of 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide?
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 419.83 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).