3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C10H11ClN6O — CID 112575806

IUPAC3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N)c1Cl)c1nn[nH]n1
InChIInChI=1S/C10H11ClN6O/c1-5(9-14-16-17-15-9)13-10(18)6-3-2-4-7(12)8(6)11/h2-5H,12H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyDCAOPUQQTAFODN-UHFFFAOYSA-N
MW266.69 g/mol
LogP0.93
Rot. Bonds3

About 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 112575806) has the molecular formula C10H11ClN6O and a molecular weight of 266.69 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID112575806
Molecular FormulaC10H11ClN6O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N)c1Cl)c1nn[nH]n1
InChIInChI=1S/C10H11ClN6O/c1-5(9-14-16-17-15-9)13-10(18)6-3-2-4-7(12)8(6)11/h2-5H,12H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyDCAOPUQQTAFODN-UHFFFAOYSA-N
XLogP0.93
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
5-bromo-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60912142
2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114024530
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114918317
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60911793
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63102891
2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929808
3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
CID 115930534
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 112575806) is 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(NC(=O)c1cccc(N)c1Cl)c1nn[nH]n1.
What is the InChIKey of 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is DCAOPUQQTAFODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O/c1-5(9-14-16-17-15-9)13-10(18)6-3-2-4-7(12)8(6)11/h2-5H,12H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 266.69 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 112575806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).