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

C24H18ClFN2O3 — CID 59692011

IUPACN-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H18ClFN2O3/c1-13(29)28-12-14-3-2-4-15(9-14)16-5-7-19-21(10-16)31-24(22(19)27)23(30)18-8-6-17(26)11-20(18)25/h2-11H,12,27H2,1H3,(H,28,29)
InChIKeyJZTARMOXWZLGEP-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.34
Rot. Bonds5

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

N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide (PubChem CID 59692011) has the molecular formula C24H18ClFN2O3 and a molecular weight of 436.87 g/mol. Its IUPAC name is N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide
PubChem CID59692011
Molecular FormulaC24H18ClFN2O3
Molecular Weight436.87 g/mol
Exact Mass436.10
IUPAC NameN-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H18ClFN2O3/c1-13(29)28-12-14-3-2-4-15(9-14)16-5-7-19-21(10-16)31-24(22(19)27)23(30)18-8-6-17(26)11-20(18)25/h2-11H,12,27H2,1H3,(H,28,29)
InChIKeyJZTARMOXWZLGEP-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
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 N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide (CID 59692011) is N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4Cl)oc3c2)c1.
What is the InChIKey of N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide?
The InChIKey is JZTARMOXWZLGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O3/c1-13(29)28-12-14-3-2-4-15(9-14)16-5-7-19-21(10-16)31-24(22(19)27)23(30)18-8-6-17(26)11-20(18)25/h2-11H,12,27H2,1H3,(H,28,29).
What are the key properties of N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide?
N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide has a molecular weight of 436.87 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 59692011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).