2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide

C17H16ClFN2O3 — CID 113172443

IUPAC2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-11(22)21(13-5-8-16(19)15(18)9-13)10-17(23)20-12-3-6-14(24-2)7-4-12/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyIGKTTYVWUXQPCB-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.48
Rot. Bonds5

About 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide

2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide (PubChem CID 113172443) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
PubChem CID113172443
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-11(22)21(13-5-8-16(19)15(18)9-13)10-17(23)20-12-3-6-14(24-2)7-4-12/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyIGKTTYVWUXQPCB-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
2-(N-acetyl-4-methoxyanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113173660
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
CID 113176766
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
2-(N-acetyl-3,4-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113179508
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
CID 113172392
2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113171603
methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 113172297

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide (CID 113172443) is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is IGKTTYVWUXQPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-11(22)21(13-5-8-16(19)15(18)9-13)10-17(23)20-12-3-6-14(24-2)7-4-12/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide?
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 350.78 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113172443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).