N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide

C14H13Cl3N2O2 — CID 4739398

IUPACN-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide
SMILESO=C(NC(NCc1ccco1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H13Cl3N2O2/c15-14(16,17)13(18-9-11-7-4-8-21-11)19-12(20)10-5-2-1-3-6-10/h1-8,13,18H,9H2,(H,19,20)
InChIKeyGGRPNHVGOGJMAE-UHFFFAOYSA-N
MW347.63 g/mol
LogP3.50
Rot. Bonds5

About N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide

N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide (PubChem CID 4739398) has the molecular formula C14H13Cl3N2O2 and a molecular weight of 347.63 g/mol. Its IUPAC name is N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide
PubChem CID4739398
Molecular FormulaC14H13Cl3N2O2
Molecular Weight347.63 g/mol
Exact Mass346.00
IUPAC NameN-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide
SMILESO=C(NC(NCc1ccco1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H13Cl3N2O2/c15-14(16,17)13(18-9-11-7-4-8-21-11)19-12(20)10-5-2-1-3-6-10/h1-8,13,18H,9H2,(H,19,20)
InChIKeyGGRPNHVGOGJMAE-UHFFFAOYSA-N
XLogP3.50
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 53.50
H-Bond Donors ≤ 52
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'}

Analyze N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide 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

2-phenyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide
CID 1099711
2-phenyl-N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]acetamide
CID 2850217
2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]propanamide
CID 822552
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[chloro(furan-2-yl)methyl]benzamide
CID 174775719
N-bis(furan-2-ylmethylamino)phosphorylbenzamide
CID 86094455
4-(furan-2-ylmethylamino)-5-oxo-5-phenylpentanoic acid
CID 82347367
N-[(1S)-2,2,2-trichloro-1-[[(2S)-oxolan-2-yl]methylamino]ethyl]benzamide
CID 1048955
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46666523
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596
N-[(1S)-1-(benzylamino)-2,2,2-trichloroethyl]-4-nitrobenzamide
CID 7035967

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide (CID 4739398) is N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide is O=C(NC(NCc1ccco1)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide?
The InChIKey is GGRPNHVGOGJMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O2/c15-14(16,17)13(18-9-11-7-4-8-21-11)19-12(20)10-5-2-1-3-6-10/h1-8,13,18H,9H2,(H,19,20).
What are the key properties of N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide?
N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide has a molecular weight of 347.63 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 4739398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).