N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide

C19H18ClF2NO3 — CID 133115603

IUPACN-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cc(F)cc(F)c2)O[C@@H](c2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C19H18ClF2NO3/c1-10(24)23-15-8-18(11-2-3-17(25)16(20)6-11)26-19(9-15)12-4-13(21)7-14(22)5-12/h2-7,15,18-19,25H,8-9H2,1H3,(H,23,24)/t15-,18-,19+/m1/s1
InChIKeyQZNJPWCWYWNDRQ-LZQZEXGQSA-N
MW381.81 g/mol
LogP4.42
Rot. Bonds3

About N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide

N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide (PubChem CID 133115603) has the molecular formula C19H18ClF2NO3 and a molecular weight of 381.81 g/mol. Its IUPAC name is N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide
PubChem CID133115603
Molecular FormulaC19H18ClF2NO3
Molecular Weight381.81 g/mol
Exact Mass381.09
IUPAC NameN-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cc(F)cc(F)c2)O[C@@H](c2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C19H18ClF2NO3/c1-10(24)23-15-8-18(11-2-3-17(25)16(20)6-11)26-19(9-15)12-4-13(21)7-14(22)5-12/h2-7,15,18-19,25H,8-9H2,1H3,(H,23,24)/t15-,18-,19+/m1/s1
InChIKeyQZNJPWCWYWNDRQ-LZQZEXGQSA-N
XLogP4.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide (CID 133115603) is N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2cc(F)cc(F)c2)O[C@@H](c2ccc(O)c(Cl)c2)C1.
What is the InChIKey of N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide?
The InChIKey is QZNJPWCWYWNDRQ-LZQZEXGQSA-N. The full InChI is InChI=1S/C19H18ClF2NO3/c1-10(24)23-15-8-18(11-2-3-17(25)16(20)6-11)26-19(9-15)12-4-13(21)7-14(22)5-12/h2-7,15,18-19,25H,8-9H2,1H3,(H,23,24)/t15-,18-,19+/m1/s1.
What are the key properties of N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide?
N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide has a molecular weight of 381.81 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,6S)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 133115603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).