N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide

C15H22FNO2 — CID 155520229

IUPACN-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
SMILESCCCC(=O)NCC(C)(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H22FNO2/c1-5-6-14(18)17-10-15(2,3)11-7-8-12(16)13(9-11)19-4/h7-9H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyRVAUUPDWZFYHIT-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide

N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide (PubChem CID 155520229) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
PubChem CID155520229
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
SMILESCCCC(=O)NCC(C)(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H22FNO2/c1-5-6-14(18)17-10-15(2,3)11-7-8-12(16)13(9-11)19-4/h7-9H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyRVAUUPDWZFYHIT-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
N-[2-(4-methoxyphenyl)-2-methylpropyl]pentanamide
CID 113090425
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine
CID 83699270
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142662
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide
CID 115140275
3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-N-(2-phenylethyl)hexanediamide
CID 19838169
methyl 3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174546

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide?
The IUPAC name of N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide (CID 155520229) is N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide?
The canonical SMILES for N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide is CCCC(=O)NCC(C)(C)c1ccc(F)c(OC)c1.
What is the InChIKey of N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide?
The InChIKey is RVAUUPDWZFYHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-5-6-14(18)17-10-15(2,3)11-7-8-12(16)13(9-11)19-4/h7-9H,5-6,10H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide?
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide has a molecular weight of 267.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide is sourced from PubChem (CID 155520229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).