N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide

C13H11NO3 — CID 43463653

IUPACN-[4-(furan-2-carbonyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C(=O)c2ccco2)cc1
InChIInChI=1S/C13H11NO3/c1-14(9-15)11-6-4-10(5-7-11)13(16)12-3-2-8-17-12/h2-9H,1H3
InChIKeyWRFTWUGPAURSTB-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.10
Rot. Bonds4

About N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide

N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide (PubChem CID 43463653) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonyl)phenyl]-N-methylformamide
PubChem CID43463653
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC NameN-[4-(furan-2-carbonyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C(=O)c2ccco2)cc1
InChIInChI=1S/C13H11NO3/c1-14(9-15)11-6-4-10(5-7-11)13(16)12-3-2-8-17-12/h2-9H,1H3
InChIKeyWRFTWUGPAURSTB-UHFFFAOYSA-N
XLogP2.10
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
CID 70398027
furan-2-yl-(1-methylpyrrol-3-yl)methanone
CID 82280498
cobalt(2+);N,N-dimethylformamide;furan-2-carboxylic acid;iron(3+);oxygen(2-);hydrate
CID 46848009
N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide
CID 43340829
(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318
2-[4-(furan-2-carbonyl)phenoxy]acetic acid
CID 82086021
N-[4-(furan-2-carbonyl)phenyl]propane-1-sulfonamide
CID 43463156
(6-chloro-3-pyridinyl)-(furan-2-yl)methanone
CID 24723376
furan-2-carboxylic acid;methanol
CID 70611195
5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid
CID 173162831
(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
CID 116609945

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide (CID 43463653) is N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide is CN(C=O)c1ccc(C(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide?
The InChIKey is WRFTWUGPAURSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-14(9-15)11-6-4-10(5-7-11)13(16)12-3-2-8-17-12/h2-9H,1H3.
What are the key properties of N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide?
N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide has a molecular weight of 229.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide is sourced from PubChem (CID 43463653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).