5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide

C30H24ClFN4O5 — CID 91174298

IUPAC5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
SMILESCOc1cc(Cl)c(-c2ccc3oc(Cc4ccc(F)cc4)c(C(N)=O)c3c2)cc1C(=O)NC1(c2nc(C)no2)CC1
InChIInChI=1S/C30H24ClFN4O5/c1-15-34-29(41-36-15)30(9-10-30)35-28(38)21-13-19(22(31)14-24(21)39-2)17-5-8-23-20(12-17)26(27(33)37)25(40-23)11-16-3-6-18(32)7-4-16/h3-8,12-14H,9-11H2,1-2H3,(H2,33,37)(H,35,38)
InChIKeyRHOLNFRQHAWCGP-UHFFFAOYSA-N
MW575.00 g/mol
LogP5.70
Rot. Bonds8

About 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide

5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide (PubChem CID 91174298) has the molecular formula C30H24ClFN4O5 and a molecular weight of 575.00 g/mol. Its IUPAC name is 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
PubChem CID91174298
Molecular FormulaC30H24ClFN4O5
Molecular Weight575.00 g/mol
Exact Mass574.14
IUPAC Name5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
SMILESCOc1cc(Cl)c(-c2ccc3oc(Cc4ccc(F)cc4)c(C(N)=O)c3c2)cc1C(=O)NC1(c2nc(C)no2)CC1
InChIInChI=1S/C30H24ClFN4O5/c1-15-34-29(41-36-15)30(9-10-30)35-28(38)21-13-19(22(31)14-24(21)39-2)17-5-8-23-20(12-17)26(27(33)37)25(40-23)11-16-3-6-18(32)7-4-16/h3-8,12-14H,9-11H2,1-2H3,(H2,33,37)(H,35,38)
InChIKeyRHOLNFRQHAWCGP-UHFFFAOYSA-N
XLogP5.70
TPSA133.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.00
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2-amino-2-oxoethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91277140
4-chloro-5-[2-(4-fluorophenyl)-3-formyl-1-benzofuran-5-yl]-2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]benzamide
CID 143956898
5-[5-[[1-(4,6-dimethylpyrimidin-2-yl)cyclopropyl]carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91188525
5-[4-fluoro-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91258886
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-4-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 90816257
2-[(4-fluorophenyl)methyl]-5-[2-methyl-4-(oxolan-3-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 91279194
2-[(4-fluorophenyl)methyl]-5-[2-methyl-3-phenylmethoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 90914906
2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59505161
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-3-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 91512542
5-[5-[[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopropyl]carbamoyl]-2-methylphenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 90763506
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 123186297
2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 53468028

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide (CID 91174298) is 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide is COc1cc(Cl)c(-c2ccc3oc(Cc4ccc(F)cc4)c(C(N)=O)c3c2)cc1C(=O)NC1(c2nc(C)no2)CC1.
What is the InChIKey of 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide?
The InChIKey is RHOLNFRQHAWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClFN4O5/c1-15-34-29(41-36-15)30(9-10-30)35-28(38)21-13-19(22(31)14-24(21)39-2)17-5-8-23-20(12-17)26(27(33)37)25(40-23)11-16-3-6-18(32)7-4-16/h3-8,12-14H,9-11H2,1-2H3,(H2,33,37)(H,35,38).
What are the key properties of 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide?
5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide has a molecular weight of 575.00 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 91174298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).