N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide

C14H18FNO — CID 167910106

IUPACN-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H18FNO/c1-11(15)13(17)16-10-14(2,3)9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3,(H,16,17)
InChIKeyQPKOODPKTMCLTM-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.85
Rot. Bonds5

About N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide

N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide (PubChem CID 167910106) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide
PubChem CID167910106
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H18FNO/c1-11(15)13(17)16-10-14(2,3)9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3,(H,16,17)
InChIKeyQPKOODPKTMCLTM-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119329644
1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid
CID 69036950
1-(2,2-dimethyl-3-phenylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111619132
N-(2,2-dimethyl-3-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428373
(2S)-2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfanylbutanamide
CID 119329650
1-(cyclopropylmethyl)-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
CID 111619045
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658
2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957521
4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
CID 120933958
N-(2,2-dimethyl-3-phenylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119794374

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide?
The IUPAC name of N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide (CID 167910106) is N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide.
What is the SMILES notation for N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide?
The canonical SMILES for N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide is C=C(F)C(=O)NCC(C)(C)Cc1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide?
The InChIKey is QPKOODPKTMCLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11(15)13(17)16-10-14(2,3)9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3,(H,16,17).
What are the key properties of N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide?
N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide has a molecular weight of 235.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-phenylpropyl)-2-fluoroprop-2-enamide is sourced from PubChem (CID 167910106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).