3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide

C24H18ClFN2O3 — CID 59692016

IUPAC3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H18ClFN2O3/c1-2-28-24(30)15-5-3-4-13(10-15)14-6-8-18-20(11-14)31-23(21(18)27)22(29)17-9-7-16(26)12-19(17)25/h3-12H,2,27H2,1H3,(H,28,30)
InChIKeyQISKTYJJGAKKLK-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.46
Rot. Bonds5

About 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide

3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide (PubChem CID 59692016) has the molecular formula C24H18ClFN2O3 and a molecular weight of 436.87 g/mol. Its IUPAC name is 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide
PubChem CID59692016
Molecular FormulaC24H18ClFN2O3
Molecular Weight436.87 g/mol
Exact Mass436.10
IUPAC Name3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H18ClFN2O3/c1-2-28-24(30)15-5-3-4-13(10-15)14-6-8-18-20(11-14)31-23(21(18)27)22(29)17-9-7-16(26)12-19(17)25/h3-12H,2,27H2,1H3,(H,28,30)
InChIKeyQISKTYJJGAKKLK-UHFFFAOYSA-N
XLogP5.46
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{5-chloro-2-[(4-methylphenyl)carbonyl]-1-benzofuran-3-yl}-2-(4-methylpiperazin-1-yl)acetamide
CID 17580028
N-{2-[(4-fluorophenyl)carbonyl]-1-benzofuran-3-yl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
CID 3324908
2-(4-chloro-3-methylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 4092515
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 4098052
2-(2-chlorophenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 4062465
2-[[3-Amino-6-(4-chlorophenyl)-1-benzofuran-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 59335640
N-[5-chloro-2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 950684
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 4095962
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 4095963
3-(2-chlorobenzamido)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7116982
3-(2-chloro-6-fluorobenzamido)-N-(2-methoxyphenyl)benzofuran-2-carboxamide
CID 16814328
N-(3-chloro-4-fluorophenyl)-3-(4-phenylbutanamido)benzofuran-2-carboxamide
CID 16817730

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide?
The IUPAC name of 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide (CID 59692016) is 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide.
What is the SMILES notation for 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide?
The canonical SMILES for 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide is CCNC(=O)c1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4Cl)oc3c2)c1.
What is the InChIKey of 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide?
The InChIKey is QISKTYJJGAKKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O3/c1-2-28-24(30)15-5-3-4-13(10-15)14-6-8-18-20(11-14)31-23(21(18)27)22(29)17-9-7-16(26)12-19(17)25/h3-12H,2,27H2,1H3,(H,28,30).
What are the key properties of 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide?
3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide has a molecular weight of 436.87 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-ethylbenzamide is sourced from PubChem (CID 59692016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).