3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

C17H16N4O2 — CID 136525641

IUPAC3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCOCc1cccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)c1
InChIInChI=1S/C17H16N4O2/c1-23-10-12-4-2-6-14(8-12)17(22)20-15-7-3-5-13(9-15)16-18-11-19-21-16/h2-9,11H,10H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyLPNCFMIQJFANLW-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.87
Rot. Bonds5

About 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 136525641) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID136525641
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCOCc1cccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)c1
InChIInChI=1S/C17H16N4O2/c1-23-10-12-4-2-6-14(8-12)17(22)20-15-7-3-5-13(9-15)16-18-11-19-21-16/h2-9,11H,10H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyLPNCFMIQJFANLW-UHFFFAOYSA-N
XLogP2.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 122137166
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56787185
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525651
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
CID 22479828
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 86982965
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 136525641) is 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is COCc1cccc(C(=O)Nc2cccc(-c3ncn[nH]3)c2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is LPNCFMIQJFANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-10-12-4-2-6-14(8-12)17(22)20-15-7-3-5-13(9-15)16-18-11-19-21-16/h2-9,11H,10H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 136525641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).