1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

C19H16Cl2FN3O2 — CID 162509797

IUPAC1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@@H](c2ccc(F)c(Cl)c2)[C@H]2Cc3c(Cl)cccc32)C(=O)N1
InChIInChI=1S/C19H16Cl2FN3O2/c20-13-3-1-2-10-11(13)7-12(10)17(9-4-5-15(22)14(21)6-9)25-8-16(18(23)26)24-19(25)27/h1-6,12,16-17H,7-8H2,(H2,23,26)(H,24,27)/t12-,16?,17-/m0/s1
InChIKeyBFJVZNHSTHISRZ-VUOHQMJNSA-N
MW408.26 g/mol
LogP3.39
Rot. Bonds4

About 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509797) has the molecular formula C19H16Cl2FN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509797
Molecular FormulaC19H16Cl2FN3O2
Molecular Weight408.26 g/mol
Exact Mass407.06
IUPAC Name1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@@H](c2ccc(F)c(Cl)c2)[C@H]2Cc3c(Cl)cccc32)C(=O)N1
InChIInChI=1S/C19H16Cl2FN3O2/c20-13-3-1-2-10-11(13)7-12(10)17(9-4-5-15(22)14(21)6-9)25-8-16(18(23)26)24-19(25)27/h1-6,12,16-17H,7-8H2,(H2,23,26)(H,24,27)/t12-,16?,17-/m0/s1
InChIKeyBFJVZNHSTHISRZ-VUOHQMJNSA-N
XLogP3.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509733
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509643
1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509846
1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509588
2-[(R)-(3-chloro-4-fluorophenyl)-(8,8-difluoro-3-bicyclo[3.2.1]octanyl)methyl]-3-oxopiperazine-1-carboxamide
CID 166045510
1-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42655789
(2S,3S)-2-amino-3-(3-chloro-4-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one
CID 23645600
2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
CID 82344904
1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509658
3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849346
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509797) is 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is NC(=O)C1CN([C@@H](c2ccc(F)c(Cl)c2)[C@H]2Cc3c(Cl)cccc32)C(=O)N1.
What is the InChIKey of 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is BFJVZNHSTHISRZ-VUOHQMJNSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O2/c20-13-3-1-2-10-11(13)7-12(10)17(9-4-5-15(22)14(21)6-9)25-8-16(18(23)26)24-19(25)27/h1-6,12,16-17H,7-8H2,(H2,23,26)(H,24,27)/t12-,16?,17-/m0/s1.
What are the key properties of 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 408.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).