N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide

C20H21N5O3 — CID 131922121

IUPACN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H21N5O3/c1-27-19-7-6-15(25-13-21-22-14-25)12-17(19)23-20(26)16-4-2-3-5-18(16)24-8-10-28-11-9-24/h2-7,12-14H,8-11H2,1H3,(H,23,26)
InChIKeyDXRBVEJMSUCIEA-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.36
Rot. Bonds5

About N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide

N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide (PubChem CID 131922121) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide
PubChem CID131922121
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H21N5O3/c1-27-19-7-6-15(25-13-21-22-14-25)12-17(19)23-20(26)16-4-2-3-5-18(16)24-8-10-28-11-9-24/h2-7,12-14H,8-11H2,1H3,(H,23,26)
InChIKeyDXRBVEJMSUCIEA-UHFFFAOYSA-N
XLogP2.36
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 84508322
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91676222
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331
2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 25247132
N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
CID 131937049
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 110362746
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylbenzamide
CID 50875897

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide (CID 131922121) is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide is COc1ccc(-n2cnnc2)cc1NC(=O)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide?
The InChIKey is DXRBVEJMSUCIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-19-7-6-15(25-13-21-22-14-25)12-17(19)23-20(26)16-4-2-3-5-18(16)24-8-10-28-11-9-24/h2-7,12-14H,8-11H2,1H3,(H,23,26).
What are the key properties of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide?
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131922121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).