4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide

C11H12F3NO2 — CID 155941258

IUPAC4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CCC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-17-9-5-3-2-4-8(9)15-10(16)6-7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyGSTBHIDRIBCDBS-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.98
Rot. Bonds4

About 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide

4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide (PubChem CID 155941258) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
PubChem CID155941258
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CCC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-17-9-5-3-2-4-8(9)15-10(16)6-7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyGSTBHIDRIBCDBS-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 28595958
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N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109039356
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(2-methoxyphenyl)pent-4-ynamide
CID 82363143
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
3-[2-hydroxyethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 62020448
2-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-2-methylpropanoic acid
CID 81228987
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
CID 109039232

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide (CID 155941258) is 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide is COc1ccccc1NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide?
The InChIKey is GSTBHIDRIBCDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-9-5-3-2-4-8(9)15-10(16)6-7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide?
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide has a molecular weight of 247.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 155941258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).