2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide

C17H16ClFN2O2 — CID 113172264

IUPAC2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O2/c1-11-3-8-15(9-16(11)18)21(12(2)22)10-17(23)20-14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyARUGFMSMKFQPAH-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.78
Rot. Bonds4

About 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide

2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 113172264) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID113172264
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O2/c1-11-3-8-15(9-16(11)18)21(12(2)22)10-17(23)20-14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyARUGFMSMKFQPAH-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 113172297
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
CID 113172995
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
CID 113172443
2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113172320
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide (CID 113172264) is 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is ARUGFMSMKFQPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-11-3-8-15(9-16(11)18)21(12(2)22)10-17(23)20-14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide?
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 334.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113172264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).