3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide

C24H24N4O — CID 17220018

IUPAC3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1
InChIInChI=1S/C24H24N4O/c1-15(2)18-5-8-21(9-6-18)28-26-22-10-7-20(14-23(22)27-28)25-24(29)19-12-16(3)11-17(4)13-19/h5-15H,1-4H3,(H,25,29)
InChIKeyKFNBSJCVQRSLDF-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.41
Rot. Bonds4

About 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide

3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide (PubChem CID 17220018) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
PubChem CID17220018
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1
InChIInChI=1S/C24H24N4O/c1-15(2)18-5-8-21(9-6-18)28-26-22-10-7-20(14-23(22)27-28)25-24(29)19-12-16(3)11-17(4)13-19/h5-15H,1-4H3,(H,25,29)
InChIKeyKFNBSJCVQRSLDF-UHFFFAOYSA-N
XLogP5.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220047
2-iodo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220026
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
CID 17219724
(E)-N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17219741
5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide
CID 17220107
3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 17219708
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 3861196
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide
CID 807150
4-morpholin-4-yl-3-nitro-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220112
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 4264329
2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide (CID 17220018) is 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide is Cc1cc(C)cc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is KFNBSJCVQRSLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-15(2)18-5-8-21(9-6-18)28-26-22-10-7-20(14-23(22)27-28)25-24(29)19-12-16(3)11-17(4)13-19/h5-15H,1-4H3,(H,25,29).
What are the key properties of 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 17220018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).