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

C17H11Cl2F6N5O2 — CID 162520799

IUPAC(4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(Cl)c(C(F)(F)F)n2)N1
InChIInChI=1S/C17H11Cl2F6N5O2/c18-7-1-2-9(28-13(7)17(23,24)25)11(30-14(31)10-5-27-15(32)29-10)6-3-8(19)12(26-4-6)16(20,21)22/h1-4,10-11H,5H2,(H,30,31)(H2,27,29,32)/t10-,11+/m0/s1
InChIKeyWIZJXFDXJBONCR-WDEREUQCSA-N
MW502.20 g/mol
LogP3.71
Rot. Bonds4

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

(4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520799) has the molecular formula C17H11Cl2F6N5O2 and a molecular weight of 502.20 g/mol. Its IUPAC name is (4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520799
Molecular FormulaC17H11Cl2F6N5O2
Molecular Weight502.20 g/mol
Exact Mass501.02
IUPAC Name(4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(Cl)c(C(F)(F)F)n2)N1
InChIInChI=1S/C17H11Cl2F6N5O2/c18-7-1-2-9(28-13(7)17(23,24)25)11(30-14(31)10-5-27-15(32)29-10)6-3-8(19)12(26-4-6)16(20,21)22/h1-4,10-11H,5H2,(H,30,31)(H2,27,29,32)/t10-,11+/m0/s1
InChIKeyWIZJXFDXJBONCR-WDEREUQCSA-N
XLogP3.71
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.20
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520799) is (4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@H](c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(Cl)c(C(F)(F)F)n2)N1.
What is the InChIKey of (4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is WIZJXFDXJBONCR-WDEREUQCSA-N. The full InChI is InChI=1S/C17H11Cl2F6N5O2/c18-7-1-2-9(28-13(7)17(23,24)25)11(30-14(31)10-5-27-15(32)29-10)6-3-8(19)12(26-4-6)16(20,21)22/h1-4,10-11H,5H2,(H,30,31)(H2,27,29,32)/t10-,11+/m0/s1.
What are the key properties of (4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 502.20 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).