(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone

C16H14ClNO2 — CID 25481768

IUPAC(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)c2cc3cc(Cl)ccc3o2)c(C)n1C
InChIInChI=1S/C16H14ClNO2/c1-9-6-13(10(2)18(9)3)16(19)15-8-11-7-12(17)4-5-14(11)20-15/h4-8H,1-3H3
InChIKeyNMDUHMFEKOHORM-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.27
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone

(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone (PubChem CID 25481768) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
PubChem CID25481768
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)c2cc3cc(Cl)ccc3o2)c(C)n1C
InChIInChI=1S/C16H14ClNO2/c1-9-6-13(10(2)18(9)3)16(19)15-8-11-7-12(17)4-5-14(11)20-15/h4-8H,1-3H3
InChIKeyNMDUHMFEKOHORM-UHFFFAOYSA-N
XLogP4.27
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754789
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114736998
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107996739
(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125429
(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103125431

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone (CID 25481768) is (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone is Cc1cc(C(=O)c2cc3cc(Cl)ccc3o2)c(C)n1C.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
The InChIKey is NMDUHMFEKOHORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-9-6-13(10(2)18(9)3)16(19)15-8-11-7-12(17)4-5-14(11)20-15/h4-8H,1-3H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone has a molecular weight of 287.75 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 25481768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).