5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide

C19H18FNO3 — CID 86967824

IUPAC5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C19H18FNO3/c1-12(8-13-4-3-5-16(9-13)23-2)21-19(22)18-11-14-10-15(20)6-7-17(14)24-18/h3-7,9-12H,8H2,1-2H3,(H,21,22)
InChIKeyGJCLCTQKHSWZBE-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.94
Rot. Bonds5

About 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide

5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 86967824) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID86967824
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C19H18FNO3/c1-12(8-13-4-3-5-16(9-13)23-2)21-19(22)18-11-14-10-15(20)6-7-17(14)24-18/h3-7,9-12H,8H2,1-2H3,(H,21,22)
InChIKeyGJCLCTQKHSWZBE-UHFFFAOYSA-N
XLogP3.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid
CID 120821852
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
3-[(3-fluorophenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651354
N-(4-fluoro-2-methylphenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532470
(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941786
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 86941749
(E)-3-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941753
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943844
3-[(4-fluorophenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651258

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide (CID 86967824) is 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide is COc1cccc(CC(C)NC(=O)c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is GJCLCTQKHSWZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12(8-13-4-3-5-16(9-13)23-2)21-19(22)18-11-14-10-15(20)6-7-17(14)24-18/h3-7,9-12H,8H2,1-2H3,(H,21,22).
What are the key properties of 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide?
5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86967824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).