4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide

C18H21FN2O4 — CID 120590352

IUPAC4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CC(CN)OC)cc1F
InChIInChI=1S/C18H21FN2O4/c1-23-13(11-20)10-18(22)21-12-7-8-15(14(19)9-12)25-17-6-4-3-5-16(17)24-2/h3-9,13H,10-11,20H2,1-2H3,(H,21,22)
InChIKeyVLEGBBQQBAUQRQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.93
Rot. Bonds8

About 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide

4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide (PubChem CID 120590352) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide
PubChem CID120590352
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CC(CN)OC)cc1F
InChIInChI=1S/C18H21FN2O4/c1-23-13(11-20)10-18(22)21-12-7-8-15(14(19)9-12)25-17-6-4-3-5-16(17)24-2/h3-9,13H,10-11,20H2,1-2H3,(H,21,22)
InChIKeyVLEGBBQQBAUQRQ-UHFFFAOYSA-N
XLogP2.93
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
2-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-2-methylpentanamide
CID 119751481
4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
CID 120591731
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341
4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 120595348
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide (CID 120590352) is 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide is COc1ccccc1Oc1ccc(NC(=O)CC(CN)OC)cc1F.
What is the InChIKey of 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide?
The InChIKey is VLEGBBQQBAUQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-23-13(11-20)10-18(22)21-12-7-8-15(14(19)9-12)25-17-6-4-3-5-16(17)24-2/h3-9,13H,10-11,20H2,1-2H3,(H,21,22).
What are the key properties of 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide?
4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide has a molecular weight of 348.37 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120590352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).