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

C17H15Cl2NO3 — CID 90535754

IUPAC3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOc2ccccc21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2NO3/c18-13-6-5-11(9-14(13)19)16(21)20-10-17(22)7-8-23-15-4-2-1-3-12(15)17/h1-6,9,22H,7-8,10H2,(H,20,21)
InChIKeyZNHPJLWGRAFEAI-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.39
Rot. Bonds3

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

3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide (PubChem CID 90535754) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
PubChem CID90535754
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOc2ccccc21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2NO3/c18-13-6-5-11(9-14(13)19)16(21)20-10-17(22)7-8-23-15-4-2-1-3-12(15)17/h1-6,9,22H,7-8,10H2,(H,20,21)
InChIKeyZNHPJLWGRAFEAI-UHFFFAOYSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535996
3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
CID 95984813
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
CID 90535736
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-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-benzothiophene-2-carboxamide
CID 100701398
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide (CID 90535754) is 3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide is O=C(NCC1(O)CCOc2ccccc21)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide?
The InChIKey is ZNHPJLWGRAFEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c18-13-6-5-11(9-14(13)19)16(21)20-10-17(22)7-8-23-15-4-2-1-3-12(15)17/h1-6,9,22H,7-8,10H2,(H,20,21).
What are the key properties of 3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide?
3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide has a molecular weight of 352.22 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide is sourced from PubChem (CID 90535754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).