4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide

C19H15F6N7O — CID 142253894

IUPAC4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESC=C(NCc1ccc(C(=O)Nc2nn[nH]n2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15F6N7O/c1-10(27-15-7-13(18(20,21)22)6-14(8-15)19(23,24)25)26-9-11-2-4-12(5-3-11)16(33)28-17-29-31-32-30-17/h2-8,26-27H,1,9H2,(H2,28,29,30,31,32,33)
InChIKeyKOSUJUBBHDZSET-UHFFFAOYSA-N
MW471.37 g/mol
LogP4.16
Rot. Bonds7

About 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide

4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 142253894) has the molecular formula C19H15F6N7O and a molecular weight of 471.37 g/mol. Its IUPAC name is 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID142253894
Molecular FormulaC19H15F6N7O
Molecular Weight471.37 g/mol
Exact Mass471.12
IUPAC Name4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESC=C(NCc1ccc(C(=O)Nc2nn[nH]n2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15F6N7O/c1-10(27-15-7-13(18(20,21)22)6-14(8-15)19(23,24)25)26-9-11-2-4-12(5-3-11)16(33)28-17-29-31-32-30-17/h2-8,26-27H,1,9H2,(H2,28,29,30,31,32,33)
InChIKeyKOSUJUBBHDZSET-UHFFFAOYSA-N
XLogP4.16
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-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

4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride
CID 22501762
4-[[[N-[3,5-bis(trifluoromethyl)phenyl]-N'-(cyanomethyl)carbamimidoyl]-(4-tert-butylcyclohexyl)amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 59123093
4-[(N-[N-[3,5-bis(trifluoromethyl)phenyl]-N'-(cyanomethyl)carbamimidoyl]-4-cyclohexylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 59123124
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 57246495
4-[[(4-tert-butylcyclohexyl)-[2-[3-thiophen-3-yl-5-(trifluoromethyl)anilino]acetyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 163601745
4-[[2-(4-tert-butylphenyl)imino-3-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11238141
1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
CID 22501855
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 45112292
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 142253894) is 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide is C=C(NCc1ccc(C(=O)Nc2nn[nH]n2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is KOSUJUBBHDZSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N7O/c1-10(27-15-7-13(18(20,21)22)6-14(8-15)19(23,24)25)26-9-11-2-4-12(5-3-11)16(33)28-17-29-31-32-30-17/h2-8,26-27H,1,9H2,(H2,28,29,30,31,32,33).
What are the key properties of 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 471.37 g/mol, XLogP of 4.16, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 142253894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).