4,6-dichloro-2,3-dihydrochromene-4-carboxamide

C10H9Cl2NO2 — CID 13053015

IUPAC4,6-dichloro-2,3-dihydrochromene-4-carboxamide
SMILESNC(=O)C1(Cl)CCOc2ccc(Cl)cc21
InChIInChI=1S/C10H9Cl2NO2/c11-6-1-2-8-7(5-6)10(12,9(13)14)3-4-15-8/h1-2,5H,3-4H2,(H2,13,14)
InChIKeyVQIGNEPBQSZICP-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.04
Rot. Bonds1

About 4,6-dichloro-2,3-dihydrochromene-4-carboxamide

4,6-dichloro-2,3-dihydrochromene-4-carboxamide (PubChem CID 13053015) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 4,6-dichloro-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-2,3-dihydrochromene-4-carboxamide
PubChem CID13053015
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name4,6-dichloro-2,3-dihydrochromene-4-carboxamide
SMILESNC(=O)C1(Cl)CCOc2ccc(Cl)cc21
InChIInChI=1S/C10H9Cl2NO2/c11-6-1-2-8-7(5-6)10(12,9(13)14)3-4-15-8/h1-2,5H,3-4H2,(H2,13,14)
InChIKeyVQIGNEPBQSZICP-UHFFFAOYSA-N
XLogP2.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-phenyl-2,3-dihydrochromene-4-carboxylic acid
CID 135311490
(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128969666
6'-chlorospiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione
CID 13014150
6-chloro-4-(1H-imidazol-2-yl)-2,3-dihydrochromen-4-ol
CID 58951608
4-hydroxy-2,3-dihydrochromene-4-carboxamide
CID 62224010
(4R)-4-amino-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906460
8-chloro-5-hydroxy-3,4-dihydro-2H-1-benzoxepine-5-carboxylic acid
CID 83672375
(4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906816
(4R)-4-(carbamoylamino)-6-fluoro-2,3-dihydrochromene-4-carboxylic acid
CID 13298580
4-amino-6-nitro-2,3-dihydrochromene-4-carboxylic acid
CID 82046102
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of 4,6-dichloro-2,3-dihydrochromene-4-carboxamide (CID 13053015) is 4,6-dichloro-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for 4,6-dichloro-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for 4,6-dichloro-2,3-dihydrochromene-4-carboxamide is NC(=O)C1(Cl)CCOc2ccc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-2,3-dihydrochromene-4-carboxamide?
The InChIKey is VQIGNEPBQSZICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c11-6-1-2-8-7(5-6)10(12,9(13)14)3-4-15-8/h1-2,5H,3-4H2,(H2,13,14).
What are the key properties of 4,6-dichloro-2,3-dihydrochromene-4-carboxamide?
4,6-dichloro-2,3-dihydrochromene-4-carboxamide has a molecular weight of 246.09 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 13053015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).