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

C20H14ClFN4O — CID 1345812

IUPAC2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14ClFN4O/c21-14-3-1-13(2-4-14)11-20(27)23-16-7-10-18-19(12-16)25-26(24-18)17-8-5-15(22)6-9-17/h1-10,12H,11H2,(H,23,27)
InChIKeyXIQCUEDVAZLXPZ-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.39
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (PubChem CID 1345812) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
PubChem CID1345812
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14ClFN4O/c21-14-3-1-13(2-4-14)11-20(27)23-16-7-10-18-19(12-16)25-26(24-18)17-8-5-15(22)6-9-17/h1-10,12H,11H2,(H,23,27)
InChIKeyXIQCUEDVAZLXPZ-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 4993445
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
CID 738267
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 881898
N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]butanamide
CID 806728
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]acetamide
CID 1348154
2-(4-chlorophenyl)-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)acetamide
CID 15991128
2-(4-chlorophenyl)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1047576
N-(6-chloro-2-phenyl-2H-benzotriazol-5-yl)-4-cyano-2-fluorobenzamide
CID 15987533
N-[2-(4-butylphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-phenylacetamide
CID 1589323
5-chloro-N-[2-(4-fluorophenyl)-2H-benzotriazol-5-yl]naphthalene-1-carboxamide
CID 5175040
2-(4-chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)acetamide
CID 15991118
2-fluoro-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]benzamide
CID 698910

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (CID 1345812) is 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The InChIKey is XIQCUEDVAZLXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c21-14-3-1-13(2-4-14)11-20(27)23-16-7-10-18-19(12-16)25-26(24-18)17-8-5-15(22)6-9-17/h1-10,12H,11H2,(H,23,27).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide has a molecular weight of 380.81 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1345812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).