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

C16H12Cl3NO2 — CID 108764672

IUPAC3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl3NO2/c17-10-2-4-15-11(8-10)14(5-6-22-15)20-16(21)9-1-3-12(18)13(19)7-9/h1-4,7-8,14H,5-6H2,(H,20,21)
InChIKeyFJVCSIRLKQOMRM-UHFFFAOYSA-N
MW356.64 g/mol
LogP4.90
Rot. Bonds2

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

3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 108764672) has the molecular formula C16H12Cl3NO2 and a molecular weight of 356.64 g/mol. Its IUPAC name is 3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID108764672
Molecular FormulaC16H12Cl3NO2
Molecular Weight356.64 g/mol
Exact Mass354.99
IUPAC Name3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl3NO2/c17-10-2-4-15-11(8-10)14(5-6-22-15)20-16(21)9-1-3-12(18)13(19)7-9/h1-4,7-8,14H,5-6H2,(H,20,21)
InChIKeyFJVCSIRLKQOMRM-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
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)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108764719
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797756
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
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)-3-(2-methylpropoxy)benzamide
CID 108742175
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
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 3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide (CID 108764672) is 3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide is O=C(NC1CCOc2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is FJVCSIRLKQOMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO2/c17-10-2-4-15-11(8-10)14(5-6-22-15)20-16(21)9-1-3-12(18)13(19)7-9/h1-4,7-8,14H,5-6H2,(H,20,21).
What are the key properties of 3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide?
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 356.64 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 108764672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).