3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide

C10H10ClN5O — CID 43167870

IUPAC3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESO=C(CCCl)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H10ClN5O/c11-6-5-10(17)13-8-1-3-9(4-2-8)16-7-12-14-15-16/h1-4,7H,5-6H2,(H,13,17)
InChIKeyXPURFEGKZDIZAU-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.23
Rot. Bonds4

About 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide

3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 43167870) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID43167870
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESO=C(CCCl)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H10ClN5O/c11-6-5-10(17)13-8-1-3-9(4-2-8)16-7-12-14-15-16/h1-4,7H,5-6H2,(H,13,17)
InChIKeyXPURFEGKZDIZAU-UHFFFAOYSA-N
XLogP1.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 24555376
2-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733239
2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide (CID 43167870) is 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide is O=C(CCCl)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is XPURFEGKZDIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-6-5-10(17)13-8-1-3-9(4-2-8)16-7-12-14-15-16/h1-4,7H,5-6H2,(H,13,17).
What are the key properties of 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide?
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 251.68 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 43167870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).