N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide

C14H11Cl4N3O — CID 123488159

IUPACN-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide
SMILESO=C(NC(Nc1ccc(Cl)nc1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H11Cl4N3O/c15-11-7-6-10(8-19-11)20-13(14(16,17)18)21-12(22)9-4-2-1-3-5-9/h1-8,13,20H,(H,21,22)
InChIKeyDGFZEDTYNNWRRT-UHFFFAOYSA-N
MW379.07 g/mol
LogP4.27
Rot. Bonds4

About N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide

N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide (PubChem CID 123488159) has the molecular formula C14H11Cl4N3O and a molecular weight of 379.07 g/mol. Its IUPAC name is N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide
PubChem CID123488159
Molecular FormulaC14H11Cl4N3O
Molecular Weight379.07 g/mol
Exact Mass376.97
IUPAC NameN-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide
SMILESO=C(NC(Nc1ccc(Cl)nc1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H11Cl4N3O/c15-11-7-6-10(8-19-11)20-13(14(16,17)18)21-12(22)9-4-2-1-3-5-9/h1-8,13,20H,(H,21,22)
InChIKeyDGFZEDTYNNWRRT-UHFFFAOYSA-N
XLogP4.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.07
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(6-chloro-3-pyridinyl)amino]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

N-[2,2-dichloro-1-[[[(6-chloro-3-pyridinyl)amino]-(cyanoamino)methylidene]amino]propyl]benzamide
CID 74111202
N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379486
N-[(1S)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379485
N-(2,2,2-trichloro-1-formamidoethyl)benzamide
CID 134108818
N-[2,2,2-trichloro-1-[3-chloro-4-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 3127857
N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide
CID 1089455
N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
CID 3841401
4-bromo-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide
CID 3090269
4-chloro-N-[(1R)-2,2,2-trichloro-1-[4-(difluoromethylsulfanyl)anilino]ethyl]benzamide
CID 34306906
N-[(1R)-1-(4-bromoanilino)-2,2,2-trichloroethyl]-3-methylbenzamide
CID 27340129
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
CID 2887409

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide?
The IUPAC name of N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide (CID 123488159) is N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide?
The canonical SMILES for N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide is O=C(NC(Nc1ccc(Cl)nc1)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide?
The InChIKey is DGFZEDTYNNWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N3O/c15-11-7-6-10(8-19-11)20-13(14(16,17)18)21-12(22)9-4-2-1-3-5-9/h1-8,13,20H,(H,21,22).
What are the key properties of N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide?
N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide has a molecular weight of 379.07 g/mol, XLogP of 4.27, 4 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-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide is sourced from PubChem (CID 123488159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).