N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide

C22H19FN4O2 — CID 17219968

IUPACN-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1
InChIInChI=1S/C22H19FN4O2/c1-2-12-29-19-5-3-4-15(13-19)22(28)24-17-8-11-20-21(14-17)26-27(25-20)18-9-6-16(23)7-10-18/h3-11,13-14H,2,12H2,1H3,(H,24,28)
InChIKeyCZZUQBGUAUGHSV-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.60
Rot. Bonds6

About N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide

N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide (PubChem CID 17219968) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide
PubChem CID17219968
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1
InChIInChI=1S/C22H19FN4O2/c1-2-12-29-19-5-3-4-15(13-19)22(28)24-17-8-11-20-21(14-17)26-27(25-20)18-9-6-16(23)7-10-18/h3-11,13-14H,2,12H2,1H3,(H,24,28)
InChIKeyCZZUQBGUAUGHSV-UHFFFAOYSA-N
XLogP4.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 1362333
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
3-butoxy-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 3293171
4-[(2S)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 29093869
4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide
CID 15998907
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 2268437
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
CID 17219724

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide (CID 17219968) is N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide?
The InChIKey is CZZUQBGUAUGHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-2-12-29-19-5-3-4-15(13-19)22(28)24-17-8-11-20-21(14-17)26-27(25-20)18-9-6-16(23)7-10-18/h3-11,13-14H,2,12H2,1H3,(H,24,28).
What are the key properties of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide?
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide has a molecular weight of 390.42 g/mol, XLogP of 4.60, 6 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]-3-propoxybenzamide is sourced from PubChem (CID 17219968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).