N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide

C19H22ClFN2O — CID 109025156

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
SMILESCc1cc(C)c(NC(=O)CCNCCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C19H22ClFN2O/c1-13-11-14(2)19(17(20)12-13)23-18(24)8-10-22-9-7-15-3-5-16(21)6-4-15/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyXSTYFETWLBUYEE-UHFFFAOYSA-N
MW348.85 g/mol
LogP4.26
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide (PubChem CID 109025156) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
PubChem CID109025156
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
SMILESCc1cc(C)c(NC(=O)CCNCCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C19H22ClFN2O/c1-13-11-14(2)19(17(20)12-13)23-18(24)8-10-22-9-7-15-3-5-16(21)6-4-15/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyXSTYFETWLBUYEE-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025214
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025421
N-(4-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025153
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891207
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002577
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758956
N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide
CID 109024994
N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025148
N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109028281
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2704735
N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025134

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide (CID 109025156) is N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide is Cc1cc(C)c(NC(=O)CCNCCc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The InChIKey is XSTYFETWLBUYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c1-13-11-14(2)19(17(20)12-13)23-18(24)8-10-22-9-7-15-3-5-16(21)6-4-15/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide has a molecular weight of 348.85 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109025156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).