N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide

C14H18FNO — CID 71684215

IUPACN-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO/c1-10(2)9-13(17)16-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyNHGOHSWTTGLNQD-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.98
Rot. Bonds4

About N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide

N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide (PubChem CID 71684215) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
PubChem CID71684215
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO/c1-10(2)9-13(17)16-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyNHGOHSWTTGLNQD-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(methylamino)acetamide
CID 110460355
(2S)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]-4-methylpentanamide
CID 110482510
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110444694
N-[1-(4-fluorophenyl)cyclopentyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119752707
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589
N-[1-(4-fluorophenyl)cyclopentyl]-2-methyl-3-(methylamino)propanamide
CID 119752714
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478088
N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 91550957
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide (CID 71684215) is N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide is CC(C)CC(=O)NC1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide?
The InChIKey is NHGOHSWTTGLNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10(2)9-13(17)16-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide?
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide has a molecular weight of 235.30 g/mol, XLogP of 2.98, 4 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]-3-methylbutanamide is sourced from PubChem (CID 71684215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).