N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide

C22H20N4O2 — CID 2276912

IUPACN-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C22H20N4O2/c1-2-14-28-19-11-8-16(9-12-19)22(27)23-17-10-13-20-21(15-17)25-26(24-20)18-6-4-3-5-7-18/h3-13,15H,2,14H2,1H3,(H,23,27)
InChIKeyBWLCZLYGGBSHJS-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.46
Rot. Bonds6

About N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide

N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide (PubChem CID 2276912) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
PubChem CID2276912
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C22H20N4O2/c1-2-14-28-19-11-8-16(9-12-19)22(27)23-17-10-13-20-21(15-17)25-26(24-20)18-6-4-3-5-7-18/h3-13,15H,2,14H2,1H3,(H,23,27)
InChIKeyBWLCZLYGGBSHJS-UHFFFAOYSA-N
XLogP4.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide
CID 15998907
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide
CID 17219968
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
CID 15993722
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide
CID 1215874
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide?
The IUPAC name of N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide (CID 2276912) is N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide?
The canonical SMILES for N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide?
The InChIKey is BWLCZLYGGBSHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-2-14-28-19-11-8-16(9-12-19)22(27)23-17-10-13-20-21(15-17)25-26(24-20)18-6-4-3-5-7-18/h3-13,15H,2,14H2,1H3,(H,23,27).
What are the key properties of N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide?
N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide has a molecular weight of 372.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide is sourced from PubChem (CID 2276912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).