2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide

C16H12Cl2N2O4 — CID 108742234

IUPAC2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C16H12Cl2N2O4/c17-9-1-4-15-12(7-9)14(5-6-24-15)19-16(21)11-8-10(20(22)23)2-3-13(11)18/h1-4,7-8,14H,5-6H2,(H,19,21)
InChIKeyDNEFAYWMWULOCB-UHFFFAOYSA-N
MW367.19 g/mol
LogP4.16
Rot. Bonds3

About 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide

2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide (PubChem CID 108742234) has the molecular formula C16H12Cl2N2O4 and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide
PubChem CID108742234
Molecular FormulaC16H12Cl2N2O4
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC Name2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide
SMILESO=C(NC1CCOc2ccc(Cl)cc21)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C16H12Cl2N2O4/c17-9-1-4-15-12(7-9)14(5-6-24-15)19-16(21)11-8-10(20(22)23)2-3-13(11)18/h1-4,7-8,14H,5-6H2,(H,19,21)
InChIKeyDNEFAYWMWULOCB-UHFFFAOYSA-N
XLogP4.16
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-nitrobenzamide
CID 18115291
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 31361844
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 86830444
N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2-(methylamino)-5-nitrobenzamide
CID 94538703
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
2-chloro-N-(2-cyclopropyloxolan-3-yl)-5-nitrobenzamide
CID 103864661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide (CID 108742234) is 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide is O=C(NC1CCOc2ccc(Cl)cc21)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide?
The InChIKey is DNEFAYWMWULOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4/c17-9-1-4-15-12(7-9)14(5-6-24-15)19-16(21)11-8-10(20(22)23)2-3-13(11)18/h1-4,7-8,14H,5-6H2,(H,19,21).
What are the key properties of 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide?
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide has a molecular weight of 367.19 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-nitrobenzamide is sourced from PubChem (CID 108742234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).