N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide

C14H20FNO2 — CID 155560062

IUPACN-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)Cc1ccc(F)c(OC)c1
InChIInChI=1S/C14H20FNO2/c1-4-5-14(17)16-10(2)8-11-6-7-12(15)13(9-11)18-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyMRLYLDICLOFISA-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.68
Rot. Bonds6

About N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide

N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide (PubChem CID 155560062) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide
PubChem CID155560062
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)Cc1ccc(F)c(OC)c1
InChIInChI=1S/C14H20FNO2/c1-4-5-14(17)16-10(2)8-11-6-7-12(15)13(9-11)18-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyMRLYLDICLOFISA-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide (CID 155560062) is N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide is CCCC(=O)NC(C)Cc1ccc(F)c(OC)c1.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide?
The InChIKey is MRLYLDICLOFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-5-14(17)16-10(2)8-11-6-7-12(15)13(9-11)18-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide?
N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide has a molecular weight of 253.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)propan-2-yl]butanamide is sourced from PubChem (CID 155560062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).