4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide

C16H16N2O2 — CID 43709544

IUPAC4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESNc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c17-12-7-5-11(6-8-12)16(19)18-14-9-10-20-15-4-2-1-3-13(14)15/h1-8,14H,9-10,17H2,(H,18,19)
InChIKeyMCLXUWWOXXLRFI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.52
Rot. Bonds2

About 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide

4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 43709544) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID43709544
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESNc1ccc(C(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c17-12-7-5-11(6-8-12)16(19)18-14-9-10-20-15-4-2-1-3-13(14)15/h1-8,14H,9-10,17H2,(H,18,19)
InChIKeyMCLXUWWOXXLRFI-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 94016891
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 39096701
4-(2-acetamidoethyl)-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 47014206
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (CID 43709544) is 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is Nc1ccc(C(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is MCLXUWWOXXLRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-12-7-5-11(6-8-12)16(19)18-14-9-10-20-15-4-2-1-3-13(14)15/h1-8,14H,9-10,17H2,(H,18,19).
What are the key properties of 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 43709544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).