5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C11H12ClN5O — CID 64517582

IUPAC5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCc2ncn[nH]2)c1
InChIInChI=1S/C11H12ClN5O/c12-9-2-1-7(13)5-8(9)11(18)14-4-3-10-15-6-16-17-10/h1-2,5-6H,3-4,13H2,(H,14,18)(H,15,16,17)
InChIKeyDGNGKJALXALZFF-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.01
Rot. Bonds4

About 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 64517582) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID64517582
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCc2ncn[nH]2)c1
InChIInChI=1S/C11H12ClN5O/c12-9-2-1-7(13)5-8(9)11(18)14-4-3-10-15-6-16-17-10/h1-2,5-6H,3-4,13H2,(H,14,18)(H,15,16,17)
InChIKeyDGNGKJALXALZFF-UHFFFAOYSA-N
XLogP1.01
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546984
2-amino-3-chloro-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107200611
3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107121133
5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
1-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]isoquinoline-4-carboxamide
CID 106766221
5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
2-chloro-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 106491058
2-chloro-3-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 115931273
2-amino-3-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 115694355
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64546063

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 64517582) is 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is Nc1ccc(Cl)c(C(=O)NCCc2ncn[nH]2)c1.
What is the InChIKey of 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is DGNGKJALXALZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c12-9-2-1-7(13)5-8(9)11(18)14-4-3-10-15-6-16-17-10/h1-2,5-6H,3-4,13H2,(H,14,18)(H,15,16,17).
What are the key properties of 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 265.70 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 64517582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).