5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide

C13H12ClN5O2 — CID 146095446

IUPAC5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide
SMILESCN(C)c1n[nH]c(NC(=O)c2coc3ccc(Cl)cc23)n1
InChIInChI=1S/C13H12ClN5O2/c1-19(2)13-16-12(17-18-13)15-11(20)9-6-21-10-4-3-7(14)5-8(9)10/h3-6H,1-2H3,(H2,15,16,17,18,20)
InChIKeyJDZZXFPPKCIXJP-UHFFFAOYSA-N
MW305.73 g/mol
LogP2.52
Rot. Bonds3

About 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide

5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide (PubChem CID 146095446) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide
PubChem CID146095446
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Name5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide
SMILESCN(C)c1n[nH]c(NC(=O)c2coc3ccc(Cl)cc23)n1
InChIInChI=1S/C13H12ClN5O2/c1-19(2)13-16-12(17-18-13)15-11(20)9-6-21-10-4-3-7(14)5-8(9)10/h3-6H,1-2H3,(H2,15,16,17,18,20)
InChIKeyJDZZXFPPKCIXJP-UHFFFAOYSA-N
XLogP2.52
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethyl)-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-4-fluorobenzamide
CID 167805838
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid
CID 46846331
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417
6-chloro-3-(piperidine-1-carbonyl)chromen-4-one
CID 42882768
N-tert-butyl-6-chloro-N'-(2-methylbenzoyl)-4-oxochromene-3-carbohydrazide
CID 139222986
N-[(1S,2S)-2-[[3-(carbamoylamino)benzoyl]amino]cyclopropyl]-5-chloro-1-benzofuran-3-carboxamide
CID 167833390
2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18860950
N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide
CID 7126144
3-[[(5-chloro-1-benzofuran-3-carbonyl)amino]methyl]oxane-3-carboxylic acid
CID 167793409
diethyl 2-[(6-chloro-4-oxochromen-3-yl)methylidene]propanedioate
CID 15625837
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide (CID 146095446) is 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide is CN(C)c1n[nH]c(NC(=O)c2coc3ccc(Cl)cc23)n1.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide?
The InChIKey is JDZZXFPPKCIXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-19(2)13-16-12(17-18-13)15-11(20)9-6-21-10-4-3-7(14)5-8(9)10/h3-6H,1-2H3,(H2,15,16,17,18,20).
What are the key properties of 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide?
5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide has a molecular weight of 305.73 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 146095446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).