3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide

C19H23FN2O3 — CID 110901250

IUPAC3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CC(C)NCC(O)c1ccccc1F
InChIInChI=1S/C19H23FN2O3/c1-13(21-12-17(23)14-7-3-4-8-15(14)20)11-19(24)22-16-9-5-6-10-18(16)25-2/h3-10,13,17,21,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyGAMJDRUITRNVKA-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.87
Rot. Bonds8

About 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide

3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide (PubChem CID 110901250) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide
PubChem CID110901250
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CC(C)NCC(O)c1ccccc1F
InChIInChI=1S/C19H23FN2O3/c1-13(21-12-17(23)14-7-3-4-8-15(14)20)11-19(24)22-16-9-5-6-10-18(16)25-2/h3-10,13,17,21,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyGAMJDRUITRNVKA-UHFFFAOYSA-N
XLogP2.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 9454002
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
[(2S)-4-(2-methoxyanilino)-4-oxobutan-2-yl]-methylazanium
CID 9396224
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939
methyl 4-[(3R)-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 70590533
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 97232185
2-(3-chloro-4-methoxyphenyl)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetic acid
CID 167958176
N-(2-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 9322485

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide (CID 110901250) is 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide is COc1ccccc1NC(=O)CC(C)NCC(O)c1ccccc1F.
What is the InChIKey of 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide?
The InChIKey is GAMJDRUITRNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13(21-12-17(23)14-7-3-4-8-15(14)20)11-19(24)22-16-9-5-6-10-18(16)25-2/h3-10,13,17,21,23H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide?
3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide has a molecular weight of 346.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 110901250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).