2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide

C16H13Cl2NO2 — CID 17398547

IUPAC2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESO=C(NC1CCOc2ccccc21)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2NO2/c17-10-5-6-13(18)12(9-10)16(20)19-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9,14H,7-8H2,(H,19,20)
InChIKeyCUSHZTUPBYJCIM-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.25
Rot. Bonds2

About 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide

2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 17398547) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID17398547
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESO=C(NC1CCOc2ccccc21)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2NO2/c17-10-5-6-13(18)12(9-10)16(20)19-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9,14H,7-8H2,(H,19,20)
InChIKeyCUSHZTUPBYJCIM-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide
CID 108742234
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide (CID 17398547) is 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is O=C(NC1CCOc2ccccc21)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is CUSHZTUPBYJCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-10-5-6-13(18)12(9-10)16(20)19-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9,14H,7-8H2,(H,19,20).
What are the key properties of 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide?
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 322.19 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 17398547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).