N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide

C20H23FN2O2 — CID 108964180

IUPACN-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
SMILESCN(C(=O)C(C)(C)C(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-20(2,19(25)23(3)17-7-5-4-6-8-17)18(24)22-14-13-15-9-11-16(21)12-10-15/h4-12H,13-14H2,1-3H3,(H,22,24)
InChIKeyJRMWZGLZQJCENI-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide

N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide (PubChem CID 108964180) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
PubChem CID108964180
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
SMILESCN(C(=O)C(C)(C)C(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O2/c1-20(2,19(25)23(3)17-7-5-4-6-8-17)18(24)22-14-13-15-9-11-16(21)12-10-15/h4-12H,13-14H2,1-3H3,(H,22,24)
InChIKeyJRMWZGLZQJCENI-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.17
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-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108963223
N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108966948
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964149
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088075
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N-benzyl-N'-[2-(4-chlorophenyl)ethyl]-N,2,2-trimethylpropanediamide
CID 108962265
3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
CID 65265022
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961824

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide (CID 108964180) is N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide is CN(C(=O)C(C)(C)C(=O)NCCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide?
The InChIKey is JRMWZGLZQJCENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-20(2,19(25)23(3)17-7-5-4-6-8-17)18(24)22-14-13-15-9-11-16(21)12-10-15/h4-12H,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide?
N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide has a molecular weight of 342.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide is sourced from PubChem (CID 108964180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).