[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate

C18H15ClFN3O5 — CID 8944983

IUPAC[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(F)cc1Cl)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H15ClFN3O5/c1-9(28-16(24)8-27-15-5-2-10(20)6-12(15)19)17(25)21-11-3-4-13-14(7-11)23-18(26)22-13/h2-7,9H,8H2,1H3,(H,21,25)(H2,22,23,26)/t9-/m1/s1
InChIKeyXJUFBDGARZFTFD-SECBINFHSA-N
MW407.79 g/mol
LogP2.60
Rot. Bonds6

About [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate

[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate (PubChem CID 8944983) has the molecular formula C18H15ClFN3O5 and a molecular weight of 407.79 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
PubChem CID8944983
Molecular FormulaC18H15ClFN3O5
Molecular Weight407.79 g/mol
Exact Mass407.07
IUPAC Name[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(F)cc1Cl)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H15ClFN3O5/c1-9(28-16(24)8-27-15-5-2-10(20)6-12(15)19)17(25)21-11-3-4-13-14(7-11)23-18(26)22-13/h2-7,9H,8H2,1H3,(H,21,25)(H2,22,23,26)/t9-/m1/s1
InChIKeyXJUFBDGARZFTFD-SECBINFHSA-N
XLogP2.60
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.79
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7764675
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 55417769
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 8639131
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(3-fluorophenyl)acetate
CID 8560156
(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26700139
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7865624
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 9060339
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846078
2-(2,4-difluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 31887504
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854094
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 23737319
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 8957420

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate?
The IUPAC name of [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate (CID 8944983) is [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate?
The canonical SMILES for [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate is C[C@@H](OC(=O)COc1ccc(F)cc1Cl)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate?
The InChIKey is XJUFBDGARZFTFD-SECBINFHSA-N. The full InChI is InChI=1S/C18H15ClFN3O5/c1-9(28-16(24)8-27-15-5-2-10(20)6-12(15)19)17(25)21-11-3-4-13-14(7-11)23-18(26)22-13/h2-7,9H,8H2,1H3,(H,21,25)(H2,22,23,26)/t9-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate?
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate has a molecular weight of 407.79 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate is sourced from PubChem (CID 8944983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).