(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide

C19H17ClF2N4O2 — CID 168966822

IUPAC(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN(C(=O)[C@@H]1CNC(=O)N1c1ccc2c(n1)CCC2)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C19H17ClF2N4O2/c1-25(13-7-6-11(21)16(20)17(13)22)18(27)14-9-23-19(28)26(14)15-8-5-10-3-2-4-12(10)24-15/h5-8,14H,2-4,9H2,1H3,(H,23,28)/t14-/m0/s1
InChIKeyGDUNROWJPMAQFK-AWEZNQCLSA-N
MW406.82 g/mol
LogP3.06
Rot. Bonds3

About (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 168966822) has the molecular formula C19H17ClF2N4O2 and a molecular weight of 406.82 g/mol. Its IUPAC name is (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID168966822
Molecular FormulaC19H17ClF2N4O2
Molecular Weight406.82 g/mol
Exact Mass406.10
IUPAC Name(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN(C(=O)[C@@H]1CNC(=O)N1c1ccc2c(n1)CCC2)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C19H17ClF2N4O2/c1-25(13-7-6-11(21)16(20)17(13)22)18(27)14-9-23-19(28)26(14)15-8-5-10-3-2-4-12(10)24-15/h5-8,14H,2-4,9H2,1H3,(H,23,28)/t14-/m0/s1
InChIKeyGDUNROWJPMAQFK-AWEZNQCLSA-N
XLogP3.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide (CID 168966822) is (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide is CN(C(=O)[C@@H]1CNC(=O)N1c1ccc2c(n1)CCC2)c1ccc(F)c(Cl)c1F.
What is the InChIKey of (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is GDUNROWJPMAQFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17ClF2N4O2/c1-25(13-7-6-11(21)16(20)17(13)22)18(27)14-9-23-19(28)26(14)15-8-5-10-3-2-4-12(10)24-15/h5-8,14H,2-4,9H2,1H3,(H,23,28)/t14-/m0/s1.
What are the key properties of (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 406.82 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 168966822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).