[2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate

C22H15ClFNO4 — CID 58503586

IUPAC[2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate
SMILESO=COc1ccccc1C(=O)Nc1c(F)cc(-c2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C22H15ClFNO4/c23-17-10-15(13-5-6-19-14(9-13)7-8-28-19)11-18(24)21(17)25-22(27)16-3-1-2-4-20(16)29-12-26/h1-6,9-12H,7-8H2,(H,25,27)
InChIKeyCRGFJKHHRZJIBR-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.87
Rot. Bonds5

About [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate

[2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate (PubChem CID 58503586) has the molecular formula C22H15ClFNO4 and a molecular weight of 411.82 g/mol. Its IUPAC name is [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate.

Molecular Properties

Compound Name[2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate
PubChem CID58503586
Molecular FormulaC22H15ClFNO4
Molecular Weight411.82 g/mol
Exact Mass411.07
IUPAC Name[2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate
SMILESO=COc1ccccc1C(=O)Nc1c(F)cc(-c2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C22H15ClFNO4/c23-17-10-15(13-5-6-19-14(9-13)7-8-28-19)11-18(24)21(17)25-22(27)16-3-1-2-4-20(16)29-12-26/h1-6,9-12H,7-8H2,(H,25,27)
InChIKeyCRGFJKHHRZJIBR-UHFFFAOYSA-N
XLogP4.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-[[4-(3-cyclopentyloxyphenyl)-2,6-difluorophenyl]carbamoyl]phenyl] formate
CID 58503578
N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide
CID 58486713
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 38558640
2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 114076490
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-fluorophenyl)urea
CID 110866388
2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960

Frequently Asked Questions

What is the IUPAC name of [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate?
The IUPAC name of [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate (CID 58503586) is [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate.
What is the SMILES notation for [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate?
The canonical SMILES for [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate is O=COc1ccccc1C(=O)Nc1c(F)cc(-c2ccc3c(c2)CCO3)cc1Cl.
What is the InChIKey of [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate?
The InChIKey is CRGFJKHHRZJIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO4/c23-17-10-15(13-5-6-19-14(9-13)7-8-28-19)11-18(24)21(17)25-22(27)16-3-1-2-4-20(16)29-12-26/h1-6,9-12H,7-8H2,(H,25,27).
What are the key properties of [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate?
[2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate has a molecular weight of 411.82 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-fluorophenyl]carbamoyl]phenyl] formate is sourced from PubChem (CID 58503586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).