N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide

C13H16FNO2 — CID 110480254

IUPACN-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide
SMILESO=C(CCCO)NC1(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO2/c14-11-5-2-1-4-10(11)13(7-8-13)15-12(17)6-3-9-16/h1-2,4-5,16H,3,6-9H2,(H,15,17)
InChIKeyYTPJVLHBFHUBGB-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.70
Rot. Bonds5

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

N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide (PubChem CID 110480254) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide
PubChem CID110480254
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide
SMILESO=C(CCCO)NC1(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO2/c14-11-5-2-1-4-10(11)13(7-8-13)15-12(17)6-3-9-16/h1-2,4-5,16H,3,6-9H2,(H,15,17)
InChIKeyYTPJVLHBFHUBGB-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456
4-[[1-(2-fluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110465781
5-[[1-(2-fluorophenyl)cyclopentyl]amino]-5-oxopentanoic acid
CID 110442663
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110490666
N-[1-(2-fluorophenyl)cyclopropyl]-2-pyridin-3-ylacetamide
CID 110468072
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-fluorophenyl)cyclopentyl]butanamide
CID 46963790
3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide
CID 120501299
N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 95807137
1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110469627
1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469652
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide (CID 110480254) is N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide is O=C(CCCO)NC1(c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide?
The InChIKey is YTPJVLHBFHUBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-5-2-1-4-10(11)13(7-8-13)15-12(17)6-3-9-16/h1-2,4-5,16H,3,6-9H2,(H,15,17).
What are the key properties of N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide?
N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide has a molecular weight of 237.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide is sourced from PubChem (CID 110480254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).