7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide

C19H11F5N2O5 — CID 19074029

IUPAC7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide
SMILESCC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)NC(=O)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C19H11F5N2O5/c1-6(26-18(29)11-12(20)14(22)16(24)15(23)13(11)21)25-17(28)9-4-7-2-3-8(27)5-10(7)31-19(9)30/h2-6,27H,1H3,(H,25,28)(H,26,29)
InChIKeySZXMVFLGCLRQTC-UHFFFAOYSA-N
MW442.30 g/mol
LogP2.70
Rot. Bonds4

About 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide

7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide (PubChem CID 19074029) has the molecular formula C19H11F5N2O5 and a molecular weight of 442.30 g/mol. Its IUPAC name is 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide
PubChem CID19074029
Molecular FormulaC19H11F5N2O5
Molecular Weight442.30 g/mol
Exact Mass442.06
IUPAC Name7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide
SMILESCC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)NC(=O)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C19H11F5N2O5/c1-6(26-18(29)11-12(20)14(22)16(24)15(23)13(11)21)25-17(28)9-4-7-2-3-8(27)5-10(7)31-19(9)30/h2-6,27H,1H3,(H,25,28)(H,26,29)
InChIKeySZXMVFLGCLRQTC-UHFFFAOYSA-N
XLogP2.70
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one
CID 19074026
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide
CID 135121493
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide
CID 146244908
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate
CID 19185609
N-[(1S)-1-(4-fluorophenyl)ethyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 100795284
3-acetyl-7-hydroxychromen-2-one;7-hydroxy-N-[(2S)-2-(methylamino)-3-oxobutyl]-2-oxochromene-3-carboxamide
CID 161031650
N-(2-aminobut-3-enyl)-7-hydroxy-2-oxochromene-3-carboxamide
CID 145271180
7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 135576755
3-(2-bromoacetyl)-7-hydroxychromen-2-one
CID 6157272
7-hydroxy-3-(piperidine-1-carbonyl)chromen-2-one
CID 122206892

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide?
The IUPAC name of 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide (CID 19074029) is 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide is CC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)NC(=O)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide?
The InChIKey is SZXMVFLGCLRQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N2O5/c1-6(26-18(29)11-12(20)14(22)16(24)15(23)13(11)21)25-17(28)9-4-7-2-3-8(27)5-10(7)31-19(9)30/h2-6,27H,1H3,(H,25,28)(H,26,29).
What are the key properties of 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide?
7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide has a molecular weight of 442.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide is sourced from PubChem (CID 19074029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).