N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide

C14H18FNO — CID 110479683

IUPACN-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C14H18FNO/c1-13(2,3)12(17)16-14(7-8-14)10-5-4-6-11(15)9-10/h4-6,9H,7-8H2,1-3H3,(H,16,17)
InChIKeyNUGGANHPNSQGHD-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.98
Rot. Bonds2

About N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide

N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide (PubChem CID 110479683) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
PubChem CID110479683
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C14H18FNO/c1-13(2,3)12(17)16-14(7-8-14)10-5-4-6-11(15)9-10/h4-6,9H,7-8H2,1-3H3,(H,16,17)
InChIKeyNUGGANHPNSQGHD-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

N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110444694
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
ethyl 2-[[1-(3-fluorophenyl)cyclopropyl]amino]-2-oxoacetate
CID 110481889
N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 164853883
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469918
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023173
1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915
N-[1-(3-fluorophenyl)cyclopropyl]piperidine-2-carboxamide
CID 110482396
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023436

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide (CID 110479683) is N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1(c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide?
The InChIKey is NUGGANHPNSQGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-13(2,3)12(17)16-14(7-8-14)10-5-4-6-11(15)9-10/h4-6,9H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide?
N-[1-(3-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-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110479683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).