5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide

C13H10ClN3O2 — CID 42893127

IUPAC5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ncccn1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C13H10ClN3O2/c14-9-2-3-10-8(6-9)7-11(19-10)12(18)17-13-15-4-1-5-16-13/h1-6,11H,7H2,(H,15,16,17,18)
InChIKeyQAFKZAINOQAECC-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.07
Rot. Bonds2

About 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 42893127) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.69 g/mol. Its IUPAC name is 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID42893127
Molecular FormulaC13H10ClN3O2
Molecular Weight275.69 g/mol
Exact Mass275.05
IUPAC Name5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ncccn1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C13H10ClN3O2/c14-9-2-3-10-8(6-9)7-11(19-10)12(18)17-13-15-4-1-5-16-13/h1-6,11H,7H2,(H,15,16,17,18)
InChIKeyQAFKZAINOQAECC-UHFFFAOYSA-N
XLogP2.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-chloro-N'-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 94104892
(2R)-5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 35035471
5-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51081170
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51295628
(2S)-5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94134387
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46600537
(2R)-5-chloro-N-isoquinolin-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39995800
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 42893127) is 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ncccn1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is QAFKZAINOQAECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-9-2-3-10-8(6-9)7-11(19-10)12(18)17-13-15-4-1-5-16-13/h1-6,11H,7H2,(H,15,16,17,18).
What are the key properties of 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 275.69 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42893127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).