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

C11H10ClN5O2 — CID 21369565

IUPAC2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(CCl)Nc1ccccc1C(=O)Nn1cnnc1
InChIInChI=1S/C11H10ClN5O2/c12-5-10(18)15-9-4-2-1-3-8(9)11(19)16-17-6-13-14-7-17/h1-4,6-7H,5H2,(H,15,18)(H,16,19)
InChIKeyAPHNFOOJQIIHSG-UHFFFAOYSA-N
MW279.69 g/mol
LogP0.84
Rot. Bonds4

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

2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 21369565) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID21369565
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC Name2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(CCl)Nc1ccccc1C(=O)Nn1cnnc1
InChIInChI=1S/C11H10ClN5O2/c12-5-10(18)15-9-4-2-1-3-8(9)11(19)16-17-6-13-14-7-17/h1-4,6-7H,5H2,(H,15,18)(H,16,19)
InChIKeyAPHNFOOJQIIHSG-UHFFFAOYSA-N
XLogP0.84
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
CID 174969003
2-acetamido-N-[3-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
CID 21369499
2-nitro-N-(1,2,4-triazol-4-yl)benzamide
CID 4289399
2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 2774319
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide
CID 70700552
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide
CID 76851694

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide (CID 21369565) is 2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide is O=C(CCl)Nc1ccccc1C(=O)Nn1cnnc1.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is APHNFOOJQIIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c12-5-10(18)15-9-4-2-1-3-8(9)11(19)16-17-6-13-14-7-17/h1-4,6-7H,5H2,(H,15,18)(H,16,19).
What are the key properties of 2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide?
2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 279.69 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 21369565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).