7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide

C12H11FN2O3 — CID 163723697

IUPAC7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide
SMILESCNC(=O)c1cc2ccc(NCF)cc2oc1=O
InChIInChI=1S/C12H11FN2O3/c1-14-11(16)9-4-7-2-3-8(15-6-13)5-10(7)18-12(9)17/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyKTUIJVGIZMJTID-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.49
Rot. Bonds3

About 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide

7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide (PubChem CID 163723697) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide
PubChem CID163723697
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide
SMILESCNC(=O)c1cc2ccc(NCF)cc2oc1=O
InChIInChI=1S/C12H11FN2O3/c1-14-11(16)9-4-7-2-3-8(15-6-13)5-10(7)18-12(9)17/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyKTUIJVGIZMJTID-UHFFFAOYSA-N
XLogP1.49
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-7-(fluoromethylamino)-2-oxochromene-3-carboxamide
CID 166082844
N-(4-cyanophenyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 5177672
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171913252
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
2-[2-oxo-7-(propylamino)chromen-3-yl]-1-benzofuran-6-carboxylic acid
CID 162712695
N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
7-(ethylamino)-2-oxochromene-3-carbaldehyde
CID 89125523
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
[[2-oxo-3-[[4-[2-[4-(prop-1-en-2-yloxymethylamino)phenyl]ethyl]phenyl]carbamoyl]chromen-7-yl]amino]methyl 2-methylprop-2-enoate
CID 153429304

Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide (CID 163723697) is 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide is CNC(=O)c1cc2ccc(NCF)cc2oc1=O.
What is the InChIKey of 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide?
The InChIKey is KTUIJVGIZMJTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-14-11(16)9-4-7-2-3-8(15-6-13)5-10(7)18-12(9)17/h2-5,15H,6H2,1H3,(H,14,16).
What are the key properties of 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide?
7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethylamino)-N-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 163723697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).