N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide

C23H22N6O — CID 32977130

IUPACN-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
SMILESCn1nnnc1-c1cccc(NCC(=O)Nc2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C23H22N6O/c1-29-23(26-27-28-29)19-11-7-12-20(15-19)24-16-22(30)25-21-13-6-5-10-18(21)14-17-8-3-2-4-9-17/h2-13,15,24H,14,16H2,1H3,(H,25,30)
InChIKeyBIJIZSZNKFUKJA-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.52
Rot. Bonds7

About N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide

N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide (PubChem CID 32977130) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
PubChem CID32977130
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
SMILESCn1nnnc1-c1cccc(NCC(=O)Nc2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C23H22N6O/c1-29-23(26-27-28-29)19-11-7-12-20(15-19)24-16-22(30)25-21-13-6-5-10-18(21)14-17-8-3-2-4-9-17/h2-13,15,24H,14,16H2,1H3,(H,25,30)
InChIKeyBIJIZSZNKFUKJA-UHFFFAOYSA-N
XLogP3.52
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
CID 46600516
2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
CID 55544703
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide
CID 55544975
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 55601078
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 94171709
N-(2-benzylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 9080869
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]thiophene-3-carboxylate
CID 55600804
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide (CID 32977130) is N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide is Cn1nnnc1-c1cccc(NCC(=O)Nc2ccccc2Cc2ccccc2)c1.
What is the InChIKey of N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
The InChIKey is BIJIZSZNKFUKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-29-23(26-27-28-29)19-11-7-12-20(15-19)24-16-22(30)25-21-13-6-5-10-18(21)14-17-8-3-2-4-9-17/h2-13,15,24H,14,16H2,1H3,(H,25,30).
What are the key properties of N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide has a molecular weight of 398.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide is sourced from PubChem (CID 32977130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).