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

C20H14Cl2N4O — CID 1348154

IUPAC2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C20H14Cl2N4O/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)
InChIKeyQVGCNERAKXAVNE-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.91
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide (PubChem CID 1348154) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide
PubChem CID1348154
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C20H14Cl2N4O/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)
InChIKeyQVGCNERAKXAVNE-UHFFFAOYSA-N
XLogP4.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-5-nitrobenzamide
CID 1372049
2-(4-chlorophenyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 4993445
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
CID 648531
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
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2,2-dimethylpropanamide
CID 960954
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-3-methylbutanamide
CID 960956
2-(4-chlorophenyl)-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)acetamide
CID 15991128
N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide
CID 56683400
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide (CID 1348154) is 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide?
The InChIKey is QVGCNERAKXAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/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-chlorophenyl)benzotriazol-5-yl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide has a molecular weight of 397.27 g/mol, XLogP of 4.91, 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-chlorophenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1348154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).