N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide

C16H16ClFN2O — CID 51253129

IUPACN-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-10-4-3-5-11(2)16(10)19-9-15(21)20-14-7-6-12(18)8-13(14)17/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyRRNMDUUOJPYGHY-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.15
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide

N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide (PubChem CID 51253129) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
PubChem CID51253129
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-10-4-3-5-11(2)16(10)19-9-15(21)20-14-7-6-12(18)8-13(14)17/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyRRNMDUUOJPYGHY-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43404197
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599
N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326
2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 42125098
N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630
2-(4-acetylanilino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 26416052
1-(2-chloro-4-fluorophenyl)-3-(2,6-dimethylphenyl)thiourea
CID 53489311
2-(2,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 54818107
N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908681
N-(2-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 9099062
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide (CID 51253129) is N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide is Cc1cccc(C)c1NCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide?
The InChIKey is RRNMDUUOJPYGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-4-3-5-11(2)16(10)19-9-15(21)20-14-7-6-12(18)8-13(14)17/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide has a molecular weight of 306.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 51253129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).