2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide

C22H20N4O3 — CID 6984025

IUPAC2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OC[C@H](O)Cn1nnc2ccccc21
InChIInChI=1S/C22H20N4O3/c27-17(14-26-20-12-6-5-11-19(20)24-25-26)15-29-21-13-7-4-10-18(21)22(28)23-16-8-2-1-3-9-16/h1-13,17,27H,14-15H2,(H,23,28)/t17-/m1/s1
InChIKeyIEHVUHUKXNVZQX-QGZVFWFLSA-N
MW388.43 g/mol
LogP3.12
Rot. Bonds7

About 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide

2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide (PubChem CID 6984025) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide
PubChem CID6984025
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OC[C@H](O)Cn1nnc2ccccc21
InChIInChI=1S/C22H20N4O3/c27-17(14-26-20-12-6-5-11-19(20)24-25-26)15-29-21-13-7-4-10-18(21)22(28)23-16-8-2-1-3-9-16/h1-13,17,27H,14-15H2,(H,23,28)/t17-/m1/s1
InChIKeyIEHVUHUKXNVZQX-QGZVFWFLSA-N
XLogP3.12
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 40563095
2-[(2R)-3-[2-[(1S)-cyclohex-3-en-1-yl]benzimidazol-1-yl]-2-hydroxypropoxy]-N-phenylbenzamide
CID 1368109
2-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide chloride
CID 44658240
1-[4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 799262
[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium
CID 5034063
(2S)-1-(benzotriazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 879163
(2S)-1-(benzotriazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 1323017
2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride
CID 53351492
(2R)-1-(benzotriazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 7375720
(2R)-1-(benzotriazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 769663
2-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-N-(4-methylphenyl)benzamide
CID 72705144
1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090509

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide?
The IUPAC name of 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide (CID 6984025) is 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OC[C@H](O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide?
The InChIKey is IEHVUHUKXNVZQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-17(14-26-20-12-6-5-11-19(20)24-25-26)15-29-21-13-7-4-10-18(21)22(28)23-16-8-2-1-3-9-16/h1-13,17,27H,14-15H2,(H,23,28)/t17-/m1/s1.
What are the key properties of 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide?
2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide has a molecular weight of 388.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide is sourced from PubChem (CID 6984025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).