4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide

C16H18FNO4 — CID 97328495

IUPAC4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](C)C[C@@H](O)c2ccco2)ccc1F
InChIInChI=1S/C16H18FNO4/c1-10(8-13(19)14-4-3-7-22-14)18-16(20)11-5-6-12(17)15(9-11)21-2/h3-7,9-10,13,19H,8H2,1-2H3,(H,18,20)/t10-,13-/m1/s1
InChIKeyGXBKWLQRJLXPQN-ZWNOBZJWSA-N
MW307.32 g/mol
LogP2.67
Rot. Bonds6

About 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide

4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide (PubChem CID 97328495) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
PubChem CID97328495
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](C)C[C@@H](O)c2ccco2)ccc1F
InChIInChI=1S/C16H18FNO4/c1-10(8-13(19)14-4-3-7-22-14)18-16(20)11-5-6-12(17)15(9-11)21-2/h3-7,9-10,13,19H,8H2,1-2H3,(H,18,20)/t10-,13-/m1/s1
InChIKeyGXBKWLQRJLXPQN-ZWNOBZJWSA-N
XLogP2.67
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9482281
N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97247632
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533
4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 97247644
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 97225190
1-(2-ethoxy-4-fluorophenyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225040
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide?
The IUPAC name of 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide (CID 97328495) is 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide?
The canonical SMILES for 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide is COc1cc(C(=O)N[C@H](C)C[C@@H](O)c2ccco2)ccc1F.
What is the InChIKey of 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide?
The InChIKey is GXBKWLQRJLXPQN-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H18FNO4/c1-10(8-13(19)14-4-3-7-22-14)18-16(20)11-5-6-12(17)15(9-11)21-2/h3-7,9-10,13,19H,8H2,1-2H3,(H,18,20)/t10-,13-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide?
4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide has a molecular weight of 307.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 97328495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).