N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide

C22H27FN2O2 — CID 108963223

IUPACN-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-4-25(16-18-8-6-5-7-9-18)21(27)22(2,3)20(26)24-15-14-17-10-12-19(23)13-11-17/h5-13H,4,14-16H2,1-3H3,(H,24,26)
InChIKeyNZMPMXKAHRFEHI-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.56
Rot. Bonds8

About N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide

N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108963223) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108963223
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-4-25(16-18-8-6-5-7-9-18)21(27)22(2,3)20(26)24-15-14-17-10-12-19(23)13-11-17/h5-13H,4,14-16H2,1-3H3,(H,24,26)
InChIKeyNZMPMXKAHRFEHI-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-[2-(3-chlorophenyl)ethyl]-N-ethyl-2,2-dimethylpropanediamide
CID 108963251
N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108964180
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
N-benzyl-N'-[2-(4-chlorophenyl)ethyl]-N,2,2-trimethylpropanediamide
CID 108962265
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
N-benzyl-N-ethyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108963299
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
N-benzyl-N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109329547

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide (CID 108963223) is N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide is CCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is NZMPMXKAHRFEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-4-25(16-18-8-6-5-7-9-18)21(27)22(2,3)20(26)24-15-14-17-10-12-19(23)13-11-17/h5-13H,4,14-16H2,1-3H3,(H,24,26).
What are the key properties of N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide?
N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 370.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108963223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).