3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide

C23H21ClN4O2 — CID 17220322

IUPAC3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1
InChIInChI=1S/C23H21ClN4O2/c1-3-15(2)30-18-11-7-8-16(12-18)23(29)25-20-14-22-21(13-19(20)24)26-28(27-22)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,29)
InChIKeyIVNSTICQXRJYGC-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.50
Rot. Bonds6

About 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide

3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide (PubChem CID 17220322) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide
PubChem CID17220322
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1
InChIInChI=1S/C23H21ClN4O2/c1-3-15(2)30-18-11-7-8-16(12-18)23(29)25-20-14-22-21(13-19(20)24)26-28(27-22)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,29)
InChIKeyIVNSTICQXRJYGC-UHFFFAOYSA-N
XLogP5.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 29093987
3-[[3-[(2S)-butan-2-yl]oxybenzoyl]amino]-4-chlorobenzoic acid
CID 28673178
3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
CID 17149678
N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 17220342
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
4-[(2R)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 29094050
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 29094105
N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-methyl-3-nitrobenzamide
CID 4502272
N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-ethoxybenzamide
CID 4503742
N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-nitrobenzamide
CID 4502104
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide?
The IUPAC name of 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide (CID 17220322) is 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide is CCC(C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1.
What is the InChIKey of 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide?
The InChIKey is IVNSTICQXRJYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-3-15(2)30-18-11-7-8-16(12-18)23(29)25-20-14-22-21(13-19(20)24)26-28(27-22)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,29).
What are the key properties of 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide?
3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide has a molecular weight of 420.90 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide is sourced from PubChem (CID 17220322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).