2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide

C17H18ClFN2O — CID 37476152

IUPAC2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O/c1-12-10-14(18)4-7-16(12)21-11-17(22)20-9-8-13-2-5-15(19)6-3-13/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyBWEOZZATYUYWDL-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.56
Rot. Bonds6

About 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 37476152) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID37476152
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O/c1-12-10-14(18)4-7-16(12)21-11-17(22)20-9-8-13-2-5-15(19)6-3-13/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyBWEOZZATYUYWDL-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000586
2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 26439038
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
N-(4-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025153
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dimethylanilino)acetamide
CID 109006978
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
CID 109002945
methyl 4-chloro-3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 109000570
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 37476152) is 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide is Cc1cc(Cl)ccc1NCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is BWEOZZATYUYWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-12-10-14(18)4-7-16(12)21-11-17(22)20-9-8-13-2-5-15(19)6-3-13/h2-7,10,21H,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 320.80 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 37476152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).