N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide

C16H23FN2O2 — CID 108957212

IUPACN-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)C(C)(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-11(2)19-15(21)16(3,4)14(20)18-10-9-12-7-5-6-8-13(12)17/h5-8,11H,9-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyUIDZLZIOJDGJOU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide

N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide (PubChem CID 108957212) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide
PubChem CID108957212
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)C(C)(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-11(2)19-15(21)16(3,4)14(20)18-10-9-12-7-5-6-8-13(12)17/h5-8,11H,9-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyUIDZLZIOJDGJOU-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 79797317
N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963012
N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964083
N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964098
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
2-amino-N-[2-(2-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119688573
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108964051
2-[acetyl(tert-butyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113166096

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide (CID 108957212) is N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide is CC(C)NC(=O)C(C)(C)C(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide?
The InChIKey is UIDZLZIOJDGJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(2)19-15(21)16(3,4)14(20)18-10-9-12-7-5-6-8-13(12)17/h5-8,11H,9-10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide?
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide has a molecular weight of 294.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108957212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).