N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide

C15H15Cl3N2O2 — CID 1159803

IUPACN-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1)[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H15Cl3N2O2/c1-20(10-11-6-3-2-4-7-11)14(15(16,17)18)19-13(21)12-8-5-9-22-12/h2-9,14H,10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyIAILDZUHGRJLHV-AWEZNQCLSA-N
MW361.66 g/mol
LogP3.84
Rot. Bonds5

About N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide

N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide (PubChem CID 1159803) has the molecular formula C15H15Cl3N2O2 and a molecular weight of 361.66 g/mol. Its IUPAC name is N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide
PubChem CID1159803
Molecular FormulaC15H15Cl3N2O2
Molecular Weight361.66 g/mol
Exact Mass360.02
IUPAC NameN-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1)[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H15Cl3N2O2/c1-20(10-11-6-3-2-4-7-11)14(15(16,17)18)19-13(21)12-8-5-9-22-12/h2-9,14H,10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyIAILDZUHGRJLHV-AWEZNQCLSA-N
XLogP3.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.66
LogP ≤ 53.84
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-[1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]acetamide
CID 2843650
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide
CID 3090290
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 86798366
N-[(2S)-1-[(4-ethylphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31234949
N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
4-[benzyl-[2-(furan-2-carbonylamino)propanoyl]amino]butanoic acid
CID 120536344
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N'-benzyl-N'-phenylfuran-2-carbohydrazide
CID 18884695
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355752

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide (CID 1159803) is N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide is CN(Cc1ccccc1)[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl.
What is the InChIKey of N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide?
The InChIKey is IAILDZUHGRJLHV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15Cl3N2O2/c1-20(10-11-6-3-2-4-7-11)14(15(16,17)18)19-13(21)12-8-5-9-22-12/h2-9,14H,10H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide?
N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide has a molecular weight of 361.66 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide is sourced from PubChem (CID 1159803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).