5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide

C20H14ClFN4O2 — CID 1363784

IUPAC5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14ClFN4O2/c1-28-19-9-2-12(21)10-16(19)20(27)23-14-5-8-17-18(11-14)25-26(24-17)15-6-3-13(22)4-7-15/h2-11H,1H3,(H,23,27)
InChIKeyKAHKQSBLAKJYGR-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.47
Rot. Bonds4

About 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide

5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide (PubChem CID 1363784) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide
PubChem CID1363784
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14ClFN4O2/c1-28-19-9-2-12(21)10-16(19)20(27)23-14-5-8-17-18(11-14)25-26(24-17)15-6-3-13(22)4-7-15/h2-11H,1H3,(H,23,27)
InChIKeyKAHKQSBLAKJYGR-UHFFFAOYSA-N
XLogP4.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide (CID 1363784) is 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide?
The InChIKey is KAHKQSBLAKJYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c1-28-19-9-2-12(21)10-16(19)20(27)23-14-5-8-17-18(11-14)25-26(24-17)15-6-3-13(22)4-7-15/h2-11H,1H3,(H,23,27).
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide?
5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide has a molecular weight of 396.81 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 1363784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).