N-(2-benzoylfuran-3-yl)carbamate

C12H8NO4- — CID 19382368

IUPACN-(2-benzoylfuran-3-yl)carbamate
SMILESO=C([O-])Nc1ccoc1C(=O)c1ccccc1
InChIInChI=1S/C12H9NO4/c14-10(8-4-2-1-3-5-8)11-9(6-7-17-11)13-12(15)16/h1-7,13H,(H,15,16)/p-1
InChIKeyGBCUFIOHLPZRJB-UHFFFAOYSA-M
MW230.20 g/mol
LogP1.27
Rot. Bonds3

About N-(2-benzoylfuran-3-yl)carbamate

N-(2-benzoylfuran-3-yl)carbamate (PubChem CID 19382368) has the molecular formula C12H8NO4- and a molecular weight of 230.20 g/mol. Its IUPAC name is N-(2-benzoylfuran-3-yl)carbamate.

Molecular Properties

Compound NameN-(2-benzoylfuran-3-yl)carbamate
PubChem CID19382368
Molecular FormulaC12H8NO4-
Molecular Weight230.20 g/mol
Exact Mass230.05
IUPAC NameN-(2-benzoylfuran-3-yl)carbamate
SMILESO=C([O-])Nc1ccoc1C(=O)c1ccccc1
InChIInChI=1S/C12H9NO4/c14-10(8-4-2-1-3-5-8)11-9(6-7-17-11)13-12(15)16/h1-7,13H,(H,15,16)/p-1
InChIKeyGBCUFIOHLPZRJB-UHFFFAOYSA-M
XLogP1.27
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(bromomethyl)furan-2-yl]-phenylmethanone
CID 15146339
diphenylmethanone
CID 3102
1-(3-benzoylfuran-2-yl)-2-methylpropan-1-one
CID 174936690
cerium(3+) tribenzoate
CID 6452877
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
(3,4-dimethylfuran-2-yl)-phenylmethanone
CID 67906016
diphenylmethanone;ethane
CID 158014879
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylfuran-3-yl)carbamate?
The IUPAC name of N-(2-benzoylfuran-3-yl)carbamate (CID 19382368) is N-(2-benzoylfuran-3-yl)carbamate.
What is the SMILES notation for N-(2-benzoylfuran-3-yl)carbamate?
The canonical SMILES for N-(2-benzoylfuran-3-yl)carbamate is O=C([O-])Nc1ccoc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylfuran-3-yl)carbamate?
The InChIKey is GBCUFIOHLPZRJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9NO4/c14-10(8-4-2-1-3-5-8)11-9(6-7-17-11)13-12(15)16/h1-7,13H,(H,15,16)/p-1.
What are the key properties of N-(2-benzoylfuran-3-yl)carbamate?
N-(2-benzoylfuran-3-yl)carbamate has a molecular weight of 230.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylfuran-3-yl)carbamate is sourced from PubChem (CID 19382368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).