N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide

C17H15NO3 — CID 106912130

IUPACN-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=Cc1ccc(NC(=O)C2CCOc3ccccc32)cc1
InChIInChI=1S/C17H15NO3/c19-11-12-5-7-13(8-6-12)18-17(20)15-9-10-21-16-4-2-1-3-14(15)16/h1-8,11,15H,9-10H2,(H,18,20)
InChIKeyAJDQYRJBJYRPRM-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.00
Rot. Bonds3

About N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 106912130) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID106912130
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=Cc1ccc(NC(=O)C2CCOc3ccccc32)cc1
InChIInChI=1S/C17H15NO3/c19-11-12-5-7-13(8-6-12)18-17(20)15-9-10-21-16-4-2-1-3-14(15)16/h1-8,11,15H,9-10H2,(H,18,20)
InChIKeyAJDQYRJBJYRPRM-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 119438483
N-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 126784589
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-(4-methyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 112691321
N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710976
N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79760288
(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 124527741
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
3-[[3-(3,4-dihydro-2H-chromene-4-carbonylamino)phenyl]methylsulfanyl]propanoic acid
CID 119241213
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 106912130) is N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide is O=Cc1ccc(NC(=O)C2CCOc3ccccc32)cc1.
What is the InChIKey of N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is AJDQYRJBJYRPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-11-12-5-7-13(8-6-12)18-17(20)15-9-10-21-16-4-2-1-3-14(15)16/h1-8,11,15H,9-10H2,(H,18,20).
What are the key properties of N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 106912130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).