furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium

C18H16Cl3N2O2+ — CID 6961271

IUPACfuran-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium
SMILESO=C(N[C@@H]([NH2+]Cc1ccco1)C(Cl)(Cl)Cl)c1cccc2ccccc12
InChIInChI=1S/C18H15Cl3N2O2/c19-18(20,21)17(22-11-13-7-4-10-25-13)23-16(24)15-9-3-6-12-5-1-2-8-14(12)15/h1-10,17,22H,11H2,(H,23,24)/p+1/t17-/m1/s1
InChIKeyODJOUOYZSGNMLC-QGZVFWFLSA-O
MW398.70 g/mol
LogP3.62
Rot. Bonds5

About furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium

furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium (PubChem CID 6961271) has the molecular formula C18H16Cl3N2O2+ and a molecular weight of 398.70 g/mol. Its IUPAC name is furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium
PubChem CID6961271
Molecular FormulaC18H16Cl3N2O2+
Molecular Weight398.70 g/mol
Exact Mass397.03
IUPAC Namefuran-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium
SMILESO=C(N[C@@H]([NH2+]Cc1ccco1)C(Cl)(Cl)Cl)c1cccc2ccccc12
InChIInChI=1S/C18H15Cl3N2O2/c19-18(20,21)17(22-11-13-7-4-10-25-13)23-16(24)15-9-3-6-12-5-1-2-8-14(12)15/h1-10,17,22H,11H2,(H,23,24)/p+1/t17-/m1/s1
InChIKeyODJOUOYZSGNMLC-QGZVFWFLSA-O
XLogP3.62
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.70
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(furan-2-carbonylamino)ethyl]azanium
CID 7081026
furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 7188482
pyridin-3-ylmethyl-[(1R)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium
CID 6971837
oxolan-2-ylmethyl-[2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium
CID 3398838
N-(1-amino-4,4-dimethylpentan-3-yl)naphthalene-1-carboxamide
CID 106357235
N-[(1R)-2,2,2-trichloro-1-[[(2S)-oxolan-2-yl]methylamino]ethyl]naphthalene-1-carboxamide
CID 1048968
N-(2,2,2-trichloro-1-pyrrolidin-1-ium-1-ylethyl)naphthalene-1-carboxamide
CID 4753408
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
tert-butyl (2S)-6-amino-2-(naphthalene-1-carbonylamino)hexanoate
CID 102277216

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium?
The IUPAC name of furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium (CID 6961271) is furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium?
The canonical SMILES for furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium is O=C(N[C@@H]([NH2+]Cc1ccco1)C(Cl)(Cl)Cl)c1cccc2ccccc12.
What is the InChIKey of furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium?
The InChIKey is ODJOUOYZSGNMLC-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H15Cl3N2O2/c19-18(20,21)17(22-11-13-7-4-10-25-13)23-16(24)15-9-3-6-12-5-1-2-8-14(12)15/h1-10,17,22H,11H2,(H,23,24)/p+1/t17-/m1/s1.
What are the key properties of furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium?
furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium has a molecular weight of 398.70 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]azanium is sourced from PubChem (CID 6961271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).