4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide

C22H16Cl3FN2O4 — CID 55890330

IUPAC4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C22H16Cl3FN2O4/c1-31-20-7-3-13(27-21(29)11-32-14-4-6-16(24)17(25)10-14)9-19(20)28-22(30)15-5-2-12(23)8-18(15)26/h2-10H,11H2,1H3,(H,27,29)(H,28,30)
InChIKeyQXIAFEKVKKTGNV-UHFFFAOYSA-N
MW497.74 g/mol
LogP6.06
Rot. Bonds7

About 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide

4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide (PubChem CID 55890330) has the molecular formula C22H16Cl3FN2O4 and a molecular weight of 497.74 g/mol. Its IUPAC name is 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
PubChem CID55890330
Molecular FormulaC22H16Cl3FN2O4
Molecular Weight497.74 g/mol
Exact Mass496.02
IUPAC Name4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C22H16Cl3FN2O4/c1-31-20-7-3-13(27-21(29)11-32-14-4-6-16(24)17(25)10-14)9-19(20)28-22(30)15-5-2-12(23)8-18(15)26/h2-10H,11H2,1H3,(H,27,29)(H,28,30)
InChIKeyQXIAFEKVKKTGNV-UHFFFAOYSA-N
XLogP6.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.74
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide with MolForge

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Related Compounds

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CID 55890582
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N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079
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4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide
CID 55890068
4-chloro-2-fluoro-N-[2-methoxy-5-[3-(2-methylpropoxy)propanoylamino]phenyl]benzamide
CID 55889049
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
CID 55888660
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
CID 17111369
4-methoxy-N-[2-methoxy-5-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46323188

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide (CID 55890330) is 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide is COc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide?
The InChIKey is QXIAFEKVKKTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3FN2O4/c1-31-20-7-3-13(27-21(29)11-32-14-4-6-16(24)17(25)10-14)9-19(20)28-22(30)15-5-2-12(23)8-18(15)26/h2-10H,11H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide?
4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide has a molecular weight of 497.74 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide is sourced from PubChem (CID 55890330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).