N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide

C14H18FNO — CID 110444694

IUPACN-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO/c1-13(2,3)12(17)16-14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyAJVSZRUMQBHVAZ-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.98
Rot. Bonds2

About N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide

N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide (PubChem CID 110444694) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
PubChem CID110444694
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO/c1-13(2,3)12(17)16-14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyAJVSZRUMQBHVAZ-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bromobutide
CID 53079
N-(1,1-Dimethyl-2-phenyl-ethyl)-acrylamide
CID 824800
(N-(2-Methyl-1-phenyl-2 propanyl) acetamide
CID 266405
Acetamide, N-(alpha-cyano-alpha-methylbenzyl)-
CID 199829
N-(1,1-Diphenyl-2,2,2-trifluoroethyl)-acetamide
CID 417450
N-(4-fluorobenzyl)-3,3-dimethylbutanamide
CID 803184
Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-
CID 199801
N-(1,1-Bis-(4-fluorophenyl)-2,2,2-trifluoroethyl)-acetamide
CID 419778
2-methyl-N-(2-phenylpropan-2-yl)prop-2-enamide
CID 73350840
Zinc00409777
CID 6951743
2,2-Dimethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142332
2,2-dimethyl-N-(1-phenylcyclopropyl)butanamide
CID 121446742

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide (CID 110444694) is N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide?
The InChIKey is AJVSZRUMQBHVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-13(2,3)12(17)16-14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide?
N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide has a molecular weight of 235.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110444694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).