N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide

C19H19ClN4O — CID 23848322

IUPACN-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)C1CCCCC1
InChIInChI=1S/C19H19ClN4O/c20-14-6-9-16(10-7-14)24-22-17-11-8-15(12-18(17)23-24)21-19(25)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,21,25)
InChIKeyWQGBPKYQZAKNBR-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.59
Rot. Bonds3

About N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide

N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide (PubChem CID 23848322) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide
PubChem CID23848322
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)C1CCCCC1
InChIInChI=1S/C19H19ClN4O/c20-14-6-9-16(10-7-14)24-22-17-11-8-15(12-18(17)23-24)21-19(25)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,21,25)
InChIKeyWQGBPKYQZAKNBR-UHFFFAOYSA-N
XLogP4.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide (CID 23848322) is N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide is O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)C1CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide?
The InChIKey is WQGBPKYQZAKNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-14-6-9-16(10-7-14)24-22-17-11-8-15(12-18(17)23-24)21-19(25)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,21,25).
What are the key properties of N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide?
N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 23848322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).