4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide

C18H16FN5O3 — CID 46270573

IUPAC4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide
SMILESCOc1ccccc1NC(=O)Cn1cnc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN5O3/c1-27-15-5-3-2-4-14(15)21-16(25)10-24-11-20-18(23-24)22-17(26)12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyMJWCPPHPQHTWNN-UHFFFAOYSA-N
MW369.36 g/mol
LogP2.32
Rot. Bonds6

About 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide

4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 46270573) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide
PubChem CID46270573
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide
SMILESCOc1ccccc1NC(=O)Cn1cnc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN5O3/c1-27-15-5-3-2-4-14(15)21-16(25)10-24-11-20-18(23-24)22-17(26)12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyMJWCPPHPQHTWNN-UHFFFAOYSA-N
XLogP2.32
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
5-amino-N-(4-fluorophenyl)-1-[2-(2-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20923628
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 4793619
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide (CID 46270573) is 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide is COc1ccccc1NC(=O)Cn1cnc(NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is MJWCPPHPQHTWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c1-27-15-5-3-2-4-14(15)21-16(25)10-24-11-20-18(23-24)22-17(26)12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide?
4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 369.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 46270573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).