N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide

C23H21NO3 — CID 90535759

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
SMILESO=C(NCC1(O)CCOc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c25-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)24-16-23(26)14-15-27-21-9-5-4-8-20(21)23/h1-13,26H,14-16H2,(H,24,25)
InChIKeyFZWNOWYJJAHIJV-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.75
Rot. Bonds4

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide (PubChem CID 90535759) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
PubChem CID90535759
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
SMILESO=C(NCC1(O)CCOc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c25-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)24-16-23(26)14-15-27-21-9-5-4-8-20(21)23/h1-13,26H,14-16H2,(H,24,25)
InChIKeyFZWNOWYJJAHIJV-UHFFFAOYSA-N
XLogP3.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
CID 90535736
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
CID 95984813
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-benzothiophene-2-carboxamide
CID 100701398
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
3-(4-fluorophenyl)-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 71788927

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide (CID 90535759) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide is O=C(NCC1(O)CCOc2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide?
The InChIKey is FZWNOWYJJAHIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)24-16-23(26)14-15-27-21-9-5-4-8-20(21)23/h1-13,26H,14-16H2,(H,24,25).
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide has a molecular weight of 359.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 90535759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).