N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide

C22H16ClNO4 — CID 1433064

IUPACN-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1ccccc1Cl
InChIInChI=1S/C22H16ClNO4/c23-19-9-3-1-7-16(19)13-24(14-17-8-5-11-27-17)21(25)18-12-15-6-2-4-10-20(15)28-22(18)26/h1-12H,13-14H2
InChIKeyVODZNJYDCZVAAY-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.88
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide

N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide (PubChem CID 1433064) has the molecular formula C22H16ClNO4 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
PubChem CID1433064
Molecular FormulaC22H16ClNO4
Molecular Weight393.83 g/mol
Exact Mass393.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1ccccc1Cl
InChIInChI=1S/C22H16ClNO4/c23-19-9-3-1-7-16(19)13-24(14-17-8-5-11-27-17)21(25)18-12-15-6-2-4-10-20(15)28-22(18)26/h1-12H,13-14H2
InChIKeyVODZNJYDCZVAAY-UHFFFAOYSA-N
XLogP4.88
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 1433119
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
S-[2-(furan-2-yl)ethyl] 2-oxochromene-3-carbothioate
CID 155544346
2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 1460043
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1432995
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2036920
N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3221325
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide
CID 1124595

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide (CID 1433064) is N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide?
The InChIKey is VODZNJYDCZVAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4/c23-19-9-3-1-7-16(19)13-24(14-17-8-5-11-27-17)21(25)18-12-15-6-2-4-10-20(15)28-22(18)26/h1-12H,13-14H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide?
N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1433064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).