2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide

C19H19F2N5O2 — CID 86846352

IUPAC2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCC(Cn1cncn1)NC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N5O2/c1-13(10-26-12-22-11-23-26)24-18(27)16-4-2-3-5-17(16)25-14-6-8-15(9-7-14)28-19(20)21/h2-9,11-13,19,25H,10H2,1H3,(H,24,27)
InChIKeyNPAGLIVUNXJELH-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.44
Rot. Bonds8

About 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide

2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (PubChem CID 86846352) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
PubChem CID86846352
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
SMILESCC(Cn1cncn1)NC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N5O2/c1-13(10-26-12-22-11-23-26)24-18(27)16-4-2-3-5-17(16)25-14-6-8-15(9-7-14)28-19(20)21/h2-9,11-13,19,25H,10H2,1H3,(H,24,27)
InChIKeyNPAGLIVUNXJELH-UHFFFAOYSA-N
XLogP3.44
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]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-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 60518432
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
4-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 92582406
2-(2-cyanophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75517595
2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91795549
5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
CID 45246576
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide
CID 60557932
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91781642
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (CID 86846352) is 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is CC(Cn1cncn1)NC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
The InChIKey is NPAGLIVUNXJELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-13(10-26-12-22-11-23-26)24-18(27)16-4-2-3-5-17(16)25-14-6-8-15(9-7-14)28-19(20)21/h2-9,11-13,19,25H,10H2,1H3,(H,24,27).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?
2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide has a molecular weight of 387.39 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 86846352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).