(2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C16H13ClFNO3 — CID 163392737

IUPAC(2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)[C@@H]1CCc2ccc(-c3ccc(F)c(Cl)c3)cc2O1
InChIInChI=1S/C16H13ClFNO3/c17-12-7-10(3-5-13(12)18)11-2-1-9-4-6-14(16(20)19-21)22-15(9)8-11/h1-3,5,7-8,14,21H,4,6H2,(H,19,20)/t14-/m0/s1
InChIKeyUMYMXTWAIRAJQR-AWEZNQCLSA-N
MW321.74 g/mol
LogP3.35
Rot. Bonds2

About (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 163392737) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID163392737
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Name(2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)[C@@H]1CCc2ccc(-c3ccc(F)c(Cl)c3)cc2O1
InChIInChI=1S/C16H13ClFNO3/c17-12-7-10(3-5-13(12)18)11-2-1-9-4-6-14(16(20)19-21)22-15(9)8-11/h1-3,5,7-8,14,21H,4,6H2,(H,19,20)/t14-/m0/s1
InChIKeyUMYMXTWAIRAJQR-AWEZNQCLSA-N
XLogP3.35
TPSA58.56 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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-hydroxy-2-phenylacetamide
CID 57779491
2-(4-chlorophenyl)-N-hydroxy-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 59775191
(2R)-8-(2-chloro-5-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide
CID 70301914
6-(4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 163392730
2-chloro-6H-benzo[c]chromene-6-carboxamide
CID 20450897
8-chloro-6H-benzo[c]chromene-6-carboxamide
CID 20451079
(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25010624
2-(4-chloro-3-ethylphenoxy)-N-hydroxy-2-phenylacetamide
CID 57779510
(2R)-6-chloro-3,4-dihydro-2H-chromene-2-carboxamide
CID 66893695
8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 69165462
1-chloro-2,3-dimethylcyclohexa-1,3-diene;(Z,3E)-2-(2,5-dimethylphenoxy)-N-hydroxy-3-prop-2-enylidenehept-5-enamide;ethane;N-hydroxy-2-phenylpropanamide
CID 145487486
6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 163392597

Frequently Asked Questions

What is the IUPAC name of (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 163392737) is (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NO)[C@@H]1CCc2ccc(-c3ccc(F)c(Cl)c3)cc2O1.
What is the InChIKey of (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is UMYMXTWAIRAJQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c17-12-7-10(3-5-13(12)18)11-2-1-9-4-6-14(16(20)19-21)22-15(9)8-11/h1-3,5,7-8,14,21H,4,6H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
(2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 321.74 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-(3-chloro-4-fluorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 163392737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).