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

C20H15FN4O2 — CID 1363610

IUPACN-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1
InChIInChI=1S/C20H15FN4O2/c1-27-17-9-2-13(3-10-17)20(26)22-15-6-11-18-19(12-15)24-25(23-18)16-7-4-14(21)5-8-16/h2-12H,1H3,(H,22,26)
InChIKeyYORBNOBPTDFNBW-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.82
Rot. Bonds4

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

N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide (PubChem CID 1363610) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
PubChem CID1363610
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1
InChIInChI=1S/C20H15FN4O2/c1-27-17-9-2-13(3-10-17)20(26)22-15-6-11-18-19(12-15)24-25(23-18)16-7-4-14(21)5-8-16/h2-12H,1H3,(H,22,26)
InChIKeyYORBNOBPTDFNBW-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-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579
4-[(2S)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 29093869
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782
(E)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1369419
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 1362333
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide
CID 17219968
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
2,3,5,6-tetrafluoro-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxybenzamide
CID 17115212
4-bromo-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 1341445
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
CID 15993722

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide (CID 1363610) is N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide?
The InChIKey is YORBNOBPTDFNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-27-17-9-2-13(3-10-17)20(26)22-15-6-11-18-19(12-15)24-25(23-18)16-7-4-14(21)5-8-16/h2-12H,1H3,(H,22,26).
What are the key properties of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide?
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide 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 N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 1363610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).