1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

C19H14Cl2FN3O3 — CID 162509733

IUPAC1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@H](c2ccc(F)c(Cl)c2)c2cc3cc(Cl)ccc3o2)C(=O)N1
InChIInChI=1S/C19H14Cl2FN3O3/c20-11-2-4-15-10(5-11)7-16(28-15)17(9-1-3-13(22)12(21)6-9)25-8-14(18(23)26)24-19(25)27/h1-7,14,17H,8H2,(H2,23,26)(H,24,27)/t14?,17-/m1/s1
InChIKeyAEOROWUYVHBWJA-FBMWCMRBSA-N
MW422.24 g/mol
LogP3.85
Rot. Bonds4

About 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509733) has the molecular formula C19H14Cl2FN3O3 and a molecular weight of 422.24 g/mol. Its IUPAC name is 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509733
Molecular FormulaC19H14Cl2FN3O3
Molecular Weight422.24 g/mol
Exact Mass421.04
IUPAC Name1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@H](c2ccc(F)c(Cl)c2)c2cc3cc(Cl)ccc3o2)C(=O)N1
InChIInChI=1S/C19H14Cl2FN3O3/c20-11-2-4-15-10(5-11)7-16(28-15)17(9-1-3-13(22)12(21)6-9)25-8-14(18(23)26)24-19(25)27/h1-7,14,17H,8H2,(H2,23,26)(H,24,27)/t14?,17-/m1/s1
InChIKeyAEOROWUYVHBWJA-FBMWCMRBSA-N
XLogP3.85
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509846
(4S)-N-[(S)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520848
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
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509643
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 114728551
1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide
CID 171387841
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
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
(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
CID 131491152
6-chloro-3-[3-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 171911178
[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207773

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509733) is 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is NC(=O)C1CN([C@H](c2ccc(F)c(Cl)c2)c2cc3cc(Cl)ccc3o2)C(=O)N1.
What is the InChIKey of 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is AEOROWUYVHBWJA-FBMWCMRBSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O3/c20-11-2-4-15-10(5-11)7-16(28-15)17(9-1-3-13(22)12(21)6-9)25-8-14(18(23)26)24-19(25)27/h1-7,14,17H,8H2,(H2,23,26)(H,24,27)/t14?,17-/m1/s1.
What are the key properties of 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 422.24 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).