N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide

C21H18N2O4 — CID 47051952

IUPACN-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H18N2O4/c24-20(23-17-10-12-27-18-8-2-1-7-16(17)18)14-5-3-6-15(13-14)22-21(25)19-9-4-11-26-19/h1-9,11,13,17H,10,12H2,(H,22,25)(H,23,24)
InChIKeyZMXGYEJAZIXXQM-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.79
Rot. Bonds4

About N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide

N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 47051952) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID47051952
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H18N2O4/c24-20(23-17-10-12-27-18-8-2-1-7-16(17)18)14-5-3-6-15(13-14)22-21(25)19-9-4-11-26-19/h1-9,11,13,17H,10,12H2,(H,22,25)(H,23,24)
InChIKeyZMXGYEJAZIXXQM-UHFFFAOYSA-N
XLogP3.79
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-chromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62365931
N-[3-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 119428864
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 62367144
N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide
CID 167921571
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 32754604
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide (CID 47051952) is N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide is O=C(NC1CCOc2ccccc21)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is ZMXGYEJAZIXXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20(23-17-10-12-27-18-8-2-1-7-16(17)18)14-5-3-6-15(13-14)22-21(25)19-9-4-11-26-19/h1-9,11,13,17H,10,12H2,(H,22,25)(H,23,24).
What are the key properties of N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide?
N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 47051952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).