4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide

C22H17FN4O2 — CID 4172115

IUPAC4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H17FN4O2/c1-29-20-12-4-15(5-13-20)21-14-24-26-27(21)19-10-8-18(9-11-19)25-22(28)16-2-6-17(23)7-3-16/h2-14H,1H3,(H,25,28)
InChIKeyNNLIZEQETYVGCI-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.33
Rot. Bonds5

About 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide

4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide (PubChem CID 4172115) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
PubChem CID4172115
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H17FN4O2/c1-29-20-12-4-15(5-13-20)21-14-24-26-27(21)19-10-8-18(9-11-19)25-22(28)16-2-6-17(23)7-3-16/h2-14H,1H3,(H,25,28)
InChIKeyNNLIZEQETYVGCI-UHFFFAOYSA-N
XLogP4.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652313
N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652343
propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
CID 16652359
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4607440
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
CID 16652390
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
3-(3,4-dimethoxyphenyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]prop-2-enamide
CID 3588432
4-fluoro-N-[3-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 42810002
4-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide
CID 16575563
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide (CID 4172115) is 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide is COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The InChIKey is NNLIZEQETYVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-29-20-12-4-15(5-13-20)21-14-24-26-27(21)19-10-8-18(9-11-19)25-22(28)16-2-6-17(23)7-3-16/h2-14H,1H3,(H,25,28).
What are the key properties of 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide has a molecular weight of 388.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 4172115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).