N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide

C20H14F5N3O — CID 87940883

IUPACN-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide
SMILESO=CN(c1cccc(C(F)(F)F)c1)c1cccnc1NCc1cccc(F)c1F
InChIInChI=1S/C20H14F5N3O/c21-16-7-1-4-13(18(16)22)11-27-19-17(8-3-9-26-19)28(12-29)15-6-2-5-14(10-15)20(23,24)25/h1-10,12H,11H2,(H,26,27)
InChIKeyUGQHFXBMNOURLJ-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.29
Rot. Bonds6

About N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide

N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide (PubChem CID 87940883) has the molecular formula C20H14F5N3O and a molecular weight of 407.34 g/mol. Its IUPAC name is N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide
PubChem CID87940883
Molecular FormulaC20H14F5N3O
Molecular Weight407.34 g/mol
Exact Mass407.11
IUPAC NameN-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide
SMILESO=CN(c1cccc(C(F)(F)F)c1)c1cccnc1NCc1cccc(F)c1F
InChIInChI=1S/C20H14F5N3O/c21-16-7-1-4-13(18(16)22)11-27-19-17(8-3-9-26-19)28(12-29)15-6-2-5-14(10-15)20(23,24)25/h1-10,12H,11H2,(H,26,27)
InChIKeyUGQHFXBMNOURLJ-UHFFFAOYSA-N
XLogP5.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide 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-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11584530
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
1-(4-Fluorophenyl)-3-(5-methylpyridin-2-yl)urea
CID 701006
N-(3-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 970494
Piperazine-1-carboxamide, 4
CID 2741409
2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine
CID 11515006
1-[4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)-3-pyridinyl]phenyl]urea
CID 145976371
1-[(2,4-Difluorophenyl)methyl]-3-[4-(trifluoromethyl)-3-pyridinyl]urea
CID 2726851
N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide
CID 2815600
N-(5-fluoro-2-methylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide
CID 2815720
1-(4-Fluorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 708788
1-(3-Fluorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 808376

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide (CID 87940883) is N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide is O=CN(c1cccc(C(F)(F)F)c1)c1cccnc1NCc1cccc(F)c1F.
What is the InChIKey of N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide?
The InChIKey is UGQHFXBMNOURLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5N3O/c21-16-7-1-4-13(18(16)22)11-27-19-17(8-3-9-26-19)28(12-29)15-6-2-5-14(10-15)20(23,24)25/h1-10,12H,11H2,(H,26,27).
What are the key properties of N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide?
N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide has a molecular weight of 407.34 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 87940883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).