N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide

C16H10F2N2O3 — CID 152560062

IUPACN-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H10F2N2O3/c17-11-5-4-9(7-12(11)18)20-16(22)10-6-8-2-1-3-13(21)14(8)23-15(10)19/h1-7,19,21H,(H,20,22)/b19-15-
InChIKeyYPHKNEKSOZQVDX-CYVLTUHYSA-N
MW316.26 g/mol
LogP3.15
Rot. Bonds2

About N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide

N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide (PubChem CID 152560062) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide
PubChem CID152560062
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC NameN-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H10F2N2O3/c17-11-5-4-9(7-12(11)18)20-16(22)10-6-8-2-1-3-13(21)14(8)23-15(10)19/h1-7,19,21H,(H,20,22)/b19-15-
InChIKeyYPHKNEKSOZQVDX-CYVLTUHYSA-N
XLogP3.15
TPSA86.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxy-N-(3-hydroxyphenyl)-2-iminochromene-3-carboxamide
CID 10402283
8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 19288997
8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 46237292
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19572105
ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17281894
N-(furan-2-ylmethyl)-8-hydroxy-2-iminochromene-3-carboxamide
CID 19574143
methyl 5-ethyl-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19572236
2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 3514997
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19572131
methyl 5-(dimethylcarbamoyl)-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 17281910

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide (CID 152560062) is N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide is [H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide?
The InChIKey is YPHKNEKSOZQVDX-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c17-11-5-4-9(7-12(11)18)20-16(22)10-6-8-2-1-3-13(21)14(8)23-15(10)19/h1-7,19,21H,(H,20,22)/b19-15-.
What are the key properties of N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide?
N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide is sourced from PubChem (CID 152560062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).