N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide

C18H19NO3 — CID 82174716

IUPACN-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
SMILESCC(O)c1ccc2c(c1)C(NC(=O)c1ccccc1)CCO2
InChIInChI=1S/C18H19NO3/c1-12(20)14-7-8-17-15(11-14)16(9-10-22-17)19-18(21)13-5-3-2-4-6-13/h2-8,11-12,16,20H,9-10H2,1H3,(H,19,21)
InChIKeyRKZFHTAOJDHFHJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.99
Rot. Bonds3

About N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide

N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide (PubChem CID 82174716) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
PubChem CID82174716
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
SMILESCC(O)c1ccc2c(c1)C(NC(=O)c1ccccc1)CCO2
InChIInChI=1S/C18H19NO3/c1-12(20)14-7-8-17-15(11-14)16(9-10-22-17)19-18(21)13-5-3-2-4-6-13/h2-8,11-12,16,20H,9-10H2,1H3,(H,19,21)
InChIKeyRKZFHTAOJDHFHJ-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide
CID 167921571
N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174588
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]ethanesulfonamide
CID 82174712
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174698
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174603

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide?
The IUPAC name of N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide (CID 82174716) is N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide.
What is the SMILES notation for N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide?
The canonical SMILES for N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide is CC(O)c1ccc2c(c1)C(NC(=O)c1ccccc1)CCO2.
What is the InChIKey of N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide?
The InChIKey is RKZFHTAOJDHFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(20)14-7-8-17-15(11-14)16(9-10-22-17)19-18(21)13-5-3-2-4-6-13/h2-8,11-12,16,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide?
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide has a molecular weight of 297.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide is sourced from PubChem (CID 82174716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).