2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide

C16H16ClFN2O — CID 33164412

IUPAC2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11-5-7-12(8-6-11)9-20-15(21)10-19-14-4-2-3-13(17)16(14)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyPMKARFZEQVMTOV-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.52
Rot. Bonds5

About 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide

2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 33164412) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID33164412
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CNc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11-5-7-12(8-6-11)9-20-15(21)10-19-14-4-2-3-13(17)16(14)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyPMKARFZEQVMTOV-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26417831
2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29451919
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33161602
N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
CID 28879721
2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
CID 42070736
N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55506183
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997146
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 33164412) is 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CNc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PMKARFZEQVMTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-11-5-7-12(8-6-11)9-20-15(21)10-19-14-4-2-3-13(17)16(14)18/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 33164412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).