N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide

C23H20N4O2 — CID 44218488

IUPACN-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide
SMILESC1=CC=C(C=C1)C(=O)NCC2=CN(N=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4
InChIInChI=1S/C23H20N4O2/c28-23(19-9-3-1-4-10-19)24-15-20-17-27(26-25-20)16-18-8-7-13-22(14-18)29-21-11-5-2-6-12-21/h1-14,17H,15-16H2,(H,24,28)
InChIKeyMABMDAIGZBOGNV-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.60
Rot. Bonds7

About N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide

N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide (PubChem CID 44218488) has the molecular formula C23H20N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide
PubChem CID44218488
Molecular FormulaC23H20N4O2
Molecular Weight384.40 g/mol
Exact Mass384.16
IUPAC NameN-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide
SMILESC1=CC=C(C=C1)C(=O)NCC2=CN(N=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4
InChIInChI=1S/C23H20N4O2/c28-23(19-9-3-1-4-10-19)24-15-20-17-27(26-25-20)16-18-8-7-13-22(14-18)29-21-11-5-2-6-12-21/h1-14,17H,15-16H2,(H,24,28)
InChIKeyMABMDAIGZBOGNV-UHFFFAOYSA-N
XLogP3.60
TPSA69.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity505

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 3230999
N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide
CID 4189088
N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-2-carboxamide
CID 44218487
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-3-methoxybenzamide
CID 53379044
N-hydroxy-5-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pentanamide
CID 60151139
1-[4-[3-fluoro-2-oxo-4-[(2-phenylacetyl)amino]pyridin-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118622468
1-[4-[2-oxo-4-[(2-phenylacetyl)amino]pyridin-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118622563
3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 3288452
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 46885764
2-(4-methylphenyl)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 46885765
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 46885820

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide?
The IUPAC name of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide (CID 44218488) is N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide is C1=CC=C(C=C1)C(=O)NCC2=CN(N=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4.
What is the InChIKey of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide?
The InChIKey is MABMDAIGZBOGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-23(19-9-3-1-4-10-19)24-15-20-17-27(26-25-20)16-18-8-7-13-22(14-18)29-21-11-5-2-6-12-21/h1-14,17H,15-16H2,(H,24,28).
What are the key properties of N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide?
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide has a molecular weight of 384.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide is sourced from PubChem (CID 44218488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).