N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide

C8H8Cl3NO3 — CID 3090290

IUPACN-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide
SMILESCOC(NC(=O)c1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl3NO3/c1-14-7(8(9,10)11)12-6(13)5-3-2-4-15-5/h2-4,7H,1H3,(H,12,13)
InChIKeyMSOICYLWSVLNNU-UHFFFAOYSA-N
MW272.51 g/mol
LogP2.35
Rot. Bonds3

About N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide

N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide (PubChem CID 3090290) has the molecular formula C8H8Cl3NO3 and a molecular weight of 272.51 g/mol. Its IUPAC name is N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide
PubChem CID3090290
Molecular FormulaC8H8Cl3NO3
Molecular Weight272.51 g/mol
Exact Mass270.96
IUPAC NameN-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide
SMILESCOC(NC(=O)c1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl3NO3/c1-14-7(8(9,10)11)12-6(13)5-3-2-4-15-5/h2-4,7H,1H3,(H,12,13)
InChIKeyMSOICYLWSVLNNU-UHFFFAOYSA-N
XLogP2.35
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-2,2,2-trichloro-1-(4-nitrophenoxy)ethyl]furan-2-carboxamide
CID 1077162
N-[(1S)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]furan-2-carboxamide
CID 31725764
N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355752
furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(furan-2-carbonylamino)ethyl]azanium
CID 7081026
N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide
CID 1159803
N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide
CID 723261
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-(3,3-difluorobutan-2-yl)furan-2-carboxamide
CID 126790408
3-(furan-2-carbonylamino)-2-methoxypropanoic acid
CID 106108034
N-(1,1-diphenylpropan-2-yl)furan-2-carboxamide
CID 46432017
N-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]furan-2-carboxamide
CID 2887246

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide (CID 3090290) is N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide is COC(NC(=O)c1ccco1)C(Cl)(Cl)Cl.
What is the InChIKey of N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide?
The InChIKey is MSOICYLWSVLNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO3/c1-14-7(8(9,10)11)12-6(13)5-3-2-4-15-5/h2-4,7H,1H3,(H,12,13).
What are the key properties of N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide?
N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide has a molecular weight of 272.51 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 3090290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).