N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide

C19H20N4O — CID 91781933

IUPACN-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ncnn1C
InChIInChI=1S/C19H20N4O/c1-14(19-20-13-21-23(19)2)22-18(24)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,22,24)
InChIKeyBBWVOFLJMUGCJI-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide

N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 91781933) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID91781933
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ncnn1C
InChIInChI=1S/C19H20N4O/c1-14(19-20-13-21-23(19)2)22-18(24)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,22,24)
InChIKeyBBWVOFLJMUGCJI-UHFFFAOYSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563
N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971565
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
CID 125447617
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971556
N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 129478459
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-phenylphenyl)acetamide
CID 2215611
N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971603
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971629
N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971693

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide (CID 91781933) is N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide is CC(NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ncnn1C.
What is the InChIKey of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is BBWVOFLJMUGCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(19-20-13-21-23(19)2)22-18(24)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide?
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 91781933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).