2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide

C20H15FN4O2 — CID 1102697

IUPAC2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1
InChIInChI=1S/C20H15FN4O2/c1-27-15-9-7-14(8-10-15)25-23-18-11-6-13(12-19(18)24-25)22-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,26)
InChIKeyKJPDXKRLOIZHBC-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.82
Rot. Bonds4

About 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide

2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide (PubChem CID 1102697) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
PubChem CID1102697
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1
InChIInChI=1S/C20H15FN4O2/c1-27-15-9-7-14(8-10-15)25-23-18-11-6-13(12-19(18)24-25)22-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,26)
InChIKeyKJPDXKRLOIZHBC-UHFFFAOYSA-N
XLogP3.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 738084
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]propanamide
CID 876205
N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]butanamide
CID 2067299
N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 2872381
N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-propionamide
CID 654352
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
CID 654480
N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamide
CID 759619
3-Furan-2-yl-N-(2-p-tolyl-2H-benzotriazol-5-yl)-acrylamide
CID 782316
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1115184
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4,5-trimethoxybenzamide
CID 1123637
1-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-3-(2-methyl-benzoyl)-thiourea
CID 1139460
N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 1256763

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide (CID 1102697) is 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide is COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is KJPDXKRLOIZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-27-15-9-7-14(8-10-15)25-23-18-11-6-13(12-19(18)24-25)22-20(26)16-4-2-3-5-17(16)21/h2-12H,1H3,(H,22,26).
What are the key properties of 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 362.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 1102697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).