N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide

C18H20FNO4 — CID 126443638

IUPACN-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C)C[C@@H](O)CO)cc2)cc1F
InChIInChI=1S/C18H20FNO4/c1-20(10-15(22)11-21)18(23)13-5-3-12(4-6-13)14-7-8-17(24-2)16(19)9-14/h3-9,15,21-22H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyFSQYLBOQTXHPIK-OAHLLOKOSA-N
MW333.36 g/mol
LogP1.93
Rot. Bonds6

About N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide

N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide (PubChem CID 126443638) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide
PubChem CID126443638
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C)C[C@@H](O)CO)cc2)cc1F
InChIInChI=1S/C18H20FNO4/c1-20(10-15(22)11-21)18(23)13-5-3-12(4-6-13)14-7-8-17(24-2)16(19)9-14/h3-9,15,21-22H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyFSQYLBOQTXHPIK-OAHLLOKOSA-N
XLogP1.93
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide (CID 126443638) is N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide is COc1ccc(-c2ccc(C(=O)N(C)C[C@@H](O)CO)cc2)cc1F.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide?
The InChIKey is FSQYLBOQTXHPIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-20(10-15(22)11-21)18(23)13-5-3-12(4-6-13)14-7-8-17(24-2)16(19)9-14/h3-9,15,21-22H,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide?
N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide has a molecular weight of 333.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 126443638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).