2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide

C21H18N4O3 — CID 141419786

IUPAC2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)Cc4ccc(O)cc4)cc3n2)cc1
InChIInChI=1S/C21H18N4O3/c1-28-18-9-5-16(6-10-18)25-23-19-11-4-15(13-20(19)24-25)22-21(27)12-14-2-7-17(26)8-3-14/h2-11,13,26H,12H2,1H3,(H,22,27)
InChIKeyDJWZBRAZFRFADM-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide

2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (PubChem CID 141419786) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
PubChem CID141419786
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)Cc4ccc(O)cc4)cc3n2)cc1
InChIInChI=1S/C21H18N4O3/c1-28-18-9-5-16(6-10-18)25-23-19-11-4-15(13-20(19)24-25)22-21(27)12-14-2-7-17(26)8-3-14/h2-11,13,26H,12H2,1H3,(H,22,27)
InChIKeyDJWZBRAZFRFADM-UHFFFAOYSA-N
XLogP3.32
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
5-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 3563784
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
2-(4-methoxyphenoxy)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]acetamide
CID 1048153
N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
CID 17219836
N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 57202084
2-(4-hydroxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 122191191
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (CID 141419786) is 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is COc1ccc(-n2nc3ccc(NC(=O)Cc4ccc(O)cc4)cc3n2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is DJWZBRAZFRFADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-28-18-9-5-16(6-10-18)25-23-19-11-4-15(13-20(19)24-25)22-21(27)12-14-2-7-17(26)8-3-14/h2-11,13,26H,12H2,1H3,(H,22,27).
What are the key properties of 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 141419786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).