4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide

C16H13Cl2NO2 — CID 108764686

IUPAC4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2NO2/c17-11-3-1-10(2-4-11)16(20)19-14-7-8-21-15-6-5-12(18)9-13(14)15/h1-6,9,14H,7-8H2,(H,19,20)
InChIKeyHDFRVASWEVMYNM-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.25
Rot. Bonds2

About 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide

4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 108764686) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID108764686
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2NO2/c17-11-3-1-10(2-4-11)16(20)19-14-7-8-21-15-6-5-12(18)9-13(14)15/h1-6,9,14H,7-8H2,(H,19,20)
InChIKeyHDFRVASWEVMYNM-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

3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108764719
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797756
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide
CID 108742234
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
CID 108742175
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108764717

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide (CID 108764686) is 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide is O=C(NC1CCOc2ccc(Cl)cc21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is HDFRVASWEVMYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-11-3-1-10(2-4-11)16(20)19-14-7-8-21-15-6-5-12(18)9-13(14)15/h1-6,9,14H,7-8H2,(H,19,20).
What are the key properties of 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
4-chloro-N-(6-chloro-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 4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 108764686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).