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

C18H18N4O3 — CID 56787185

IUPAC3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCOCCOc1cccc(C(=O)Nc2ccc(-c3ncn[nH]3)cc2)c1
InChIInChI=1S/C18H18N4O3/c1-24-9-10-25-16-4-2-3-14(11-16)18(23)21-15-7-5-13(6-8-15)17-19-12-20-22-17/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyXZFQZAZFTXUFLJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.75
Rot. Bonds7

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

3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 56787185) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID56787185
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCOCCOc1cccc(C(=O)Nc2ccc(-c3ncn[nH]3)cc2)c1
InChIInChI=1S/C18H18N4O3/c1-24-9-10-25-16-4-2-3-14(11-16)18(23)21-15-7-5-13(6-8-15)17-19-12-20-22-17/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyXZFQZAZFTXUFLJ-UHFFFAOYSA-N
XLogP2.75
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525641
2-(2-methoxyethylamino)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide;hydrochloride
CID 119780393
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779477
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 56787185) is 3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is COCCOc1cccc(C(=O)Nc2ccc(-c3ncn[nH]3)cc2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is XZFQZAZFTXUFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-9-10-25-16-4-2-3-14(11-16)18(23)21-15-7-5-13(6-8-15)17-19-12-20-22-17/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of 3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 338.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 56787185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).