(2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide

C16H13ClFNO3 — CID 70301914

IUPAC(2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)[C@H]1CCc2cc(F)cc(-c3cc(O)ccc3Cl)c2O1
InChIInChI=1S/C16H13ClFNO3/c17-13-3-2-10(20)7-11(13)12-6-9(18)5-8-1-4-14(16(19)21)22-15(8)12/h2-3,5-7,14,20H,1,4H2,(H2,19,21)/t14-/m1/s1
InChIKeyGVZULHJTJUSKTB-CQSZACIVSA-N
MW321.74 g/mol
LogP3.03
Rot. Bonds2

About (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide

(2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 70301914) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID70301914
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Name(2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)[C@H]1CCc2cc(F)cc(-c3cc(O)ccc3Cl)c2O1
InChIInChI=1S/C16H13ClFNO3/c17-13-3-2-10(20)7-11(13)12-6-9(18)5-8-1-4-14(16(19)21)22-15(8)12/h2-3,5-7,14,20H,1,4H2,(H2,19,21)/t14-/m1/s1
InChIKeyGVZULHJTJUSKTB-CQSZACIVSA-N
XLogP3.03
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2,4-dichlorophenol
CID 25009924
(2S)-2-(aminomethyl)-8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one
CID 25010101
3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-2-chlorophenol
CID 25010105
(2S)-2-(aminomethyl)-8-(2-chloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one
CID 25010281
(3R)-5-(2-chloro-5-hydroxyphenyl)-7-fluoro-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 71097047
(2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 163392737
3-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-4-chlorophenol
CID 25010283
8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one
CID 143663617
(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25010624
8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 69165462
2-[3-[(4-Chlorophenoxy)methyl]phenyl]-2-hydroxy-2-phenylacetamide
CID 140190333
8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one;methanamine
CID 143663616

Frequently Asked Questions

What is the IUPAC name of (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide (CID 70301914) is (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide is NC(=O)[C@H]1CCc2cc(F)cc(-c3cc(O)ccc3Cl)c2O1.
What is the InChIKey of (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is GVZULHJTJUSKTB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c17-13-3-2-10(20)7-11(13)12-6-9(18)5-8-1-4-14(16(19)21)22-15(8)12/h2-3,5-7,14,20H,1,4H2,(H2,19,21)/t14-/m1/s1.
What are the key properties of (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide?
(2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 321.74 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 70301914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).