N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide

C23H15ClFNO4 — CID 18848021

IUPACN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C23H15ClFNO4/c1-29-19-11-10-13(12-16(19)24)21(27)22-20(15-7-3-5-9-18(15)30-22)26-23(28)14-6-2-4-8-17(14)25/h2-12H,1H3,(H,26,28)
InChIKeyOMIFJLBBAAHAIT-UHFFFAOYSA-N
MW423.83 g/mol
LogP5.72
Rot. Bonds5

About N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide

N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide (PubChem CID 18848021) has the molecular formula C23H15ClFNO4 and a molecular weight of 423.83 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
PubChem CID18848021
Molecular FormulaC23H15ClFNO4
Molecular Weight423.83 g/mol
Exact Mass423.07
IUPAC NameN-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C23H15ClFNO4/c1-29-19-11-10-13(12-16(19)24)21(27)22-20(15-7-3-5-9-18(15)30-22)26-23(28)14-6-2-4-8-17(14)25/h2-12H,1H3,(H,26,28)
InChIKeyOMIFJLBBAAHAIT-UHFFFAOYSA-N
XLogP5.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.83
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883737
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-nitrobenzamide
CID 1423526
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 35339570
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
3,6-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-1-benzothiophene-2-carboxamide
CID 18848131
3,5-dichloro-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-hexoxybenzamide
CID 18848207
(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone
CID 110826567
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860701
3-butoxy-N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848018
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829831
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 18848009

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide (CID 18848021) is N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide?
The InChIKey is OMIFJLBBAAHAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFNO4/c1-29-19-11-10-13(12-16(19)24)21(27)22-20(15-7-3-5-9-18(15)30-22)26-23(28)14-6-2-4-8-17(14)25/h2-12H,1H3,(H,26,28).
What are the key properties of N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide?
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide has a molecular weight of 423.83 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 18848021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).