N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide

C20H21N5O2 — CID 86835460

IUPACN,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H21N5O2/c1-3-24(4-2)20(27)17-7-5-6-8-18(17)23-19(26)15-9-11-16(12-10-15)25-14-21-13-22-25/h5-14H,3-4H2,1-2H3,(H,23,26)
InChIKeyRHXPZLPYURVUHI-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.00
Rot. Bonds6

About N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide

N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide (PubChem CID 86835460) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
PubChem CID86835460
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H21N5O2/c1-3-24(4-2)20(27)17-7-5-6-8-18(17)23-19(26)15-9-11-16(12-10-15)25-14-21-13-22-25/h5-14H,3-4H2,1-2H3,(H,23,26)
InChIKeyRHXPZLPYURVUHI-UHFFFAOYSA-N
XLogP3.00
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51192150
N,N-diethyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21367636
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
CID 86835479
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide
CID 86835481
N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86835530
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 111102425
N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18138197

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide (CID 86835460) is N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide is CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide?
The InChIKey is RHXPZLPYURVUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-24(4-2)20(27)17-7-5-6-8-18(17)23-19(26)15-9-11-16(12-10-15)25-14-21-13-22-25/h5-14H,3-4H2,1-2H3,(H,23,26).
What are the key properties of N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide?
N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 86835460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).