(4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

C17H12Cl2F4N4O2 — CID 166908048

IUPAC(4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(Cl)c(C(F)(F)F)n2)N1
InChIInChI=1S/C17H12Cl2F4N4O2/c18-8-2-4-11(25-14(8)17(21,22)23)13(7-1-3-10(20)9(19)5-7)27-15(28)12-6-24-16(29)26-12/h1-5,12-13H,6H2,(H,27,28)(H2,24,26,29)/t12-,13?/m0/s1
InChIKeyJZGSIGSMSVQNJY-UEWDXFNNSA-N
MW451.21 g/mol
LogP3.43
Rot. Bonds4

About (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 166908048) has the molecular formula C17H12Cl2F4N4O2 and a molecular weight of 451.21 g/mol. Its IUPAC name is (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID166908048
Molecular FormulaC17H12Cl2F4N4O2
Molecular Weight451.21 g/mol
Exact Mass450.03
IUPAC Name(4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(Cl)c(C(F)(F)F)n2)N1
InChIInChI=1S/C17H12Cl2F4N4O2/c18-8-2-4-11(25-14(8)17(21,22)23)13(7-1-3-10(20)9(19)5-7)27-15(28)12-6-24-16(29)26-12/h1-5,12-13H,6H2,(H,27,28)(H2,24,26,29)/t12-,13?/m0/s1
InChIKeyJZGSIGSMSVQNJY-UEWDXFNNSA-N
XLogP3.43
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.21
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 166908048) is (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(Cl)c(C(F)(F)F)n2)N1.
What is the InChIKey of (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is JZGSIGSMSVQNJY-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H12Cl2F4N4O2/c18-8-2-4-11(25-14(8)17(21,22)23)13(7-1-3-10(20)9(19)5-7)27-15(28)12-6-24-16(29)26-12/h1-5,12-13H,6H2,(H,27,28)(H2,24,26,29)/t12-,13?/m0/s1.
What are the key properties of (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 451.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166908048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).