5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide

C22H18ClFN2O3 — CID 60567457

IUPAC5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)c1
InChIInChI=1S/C22H18ClFN2O3/c1-13-3-7-17(8-4-13)29-21-10-5-15(23)11-20(21)26-22(28)18-12-16(25-14(2)27)6-9-19(18)24/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyFGFKNBGEEBRIAD-UHFFFAOYSA-N
MW412.85 g/mol
LogP5.79
Rot. Bonds5

About 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide

5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide (PubChem CID 60567457) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide
PubChem CID60567457
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC Name5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)c1
InChIInChI=1S/C22H18ClFN2O3/c1-13-3-7-17(8-4-13)29-21-10-5-15(23)11-20(21)26-22(28)18-12-16(25-14(2)27)6-9-19(18)24/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyFGFKNBGEEBRIAD-UHFFFAOYSA-N
XLogP5.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.85
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-N-[5-chloro-2-(4-methylphenoxy)phenyl]acetamide
CID 18195978
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide
CID 34131638
N-[5-chloro-2-(4-methylphenoxy)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60551038
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
5-acetamido-2-fluoro-N-(2-hydroxyphenyl)benzamide
CID 60571237
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide
CID 21436614
N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide
CID 60567428
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide (CID 60567457) is 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide is CC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)c1.
What is the InChIKey of 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide?
The InChIKey is FGFKNBGEEBRIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c1-13-3-7-17(8-4-13)29-21-10-5-15(23)11-20(21)26-22(28)18-12-16(25-14(2)27)6-9-19(18)24/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide?
5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide has a molecular weight of 412.85 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 60567457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).