3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide

C11H12ClN5O — CID 55110809

IUPAC3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(CCl)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C11H12ClN5O/c1-8(6-12)11(18)14-9-4-2-3-5-10(9)17-7-13-15-16-17/h2-5,7-8H,6H2,1H3,(H,14,18)
InChIKeyDIJZYAMNVSPXQY-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.48
Rot. Bonds4

About 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide

3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 55110809) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
PubChem CID55110809
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(CCl)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C11H12ClN5O/c1-8(6-12)11(18)14-9-4-2-3-5-10(9)17-7-13-15-16-17/h2-5,7-8H,6H2,1H3,(H,14,18)
InChIKeyDIJZYAMNVSPXQY-UHFFFAOYSA-N
XLogP1.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.48
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

2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 115426234
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55121620
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea
CID 52511803
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
[2-(tetrazol-1-yl)phenyl]thiourea
CID 169356429

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide (CID 55110809) is 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide is CC(CCl)C(=O)Nc1ccccc1-n1cnnn1.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is DIJZYAMNVSPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-8(6-12)11(18)14-9-4-2-3-5-10(9)17-7-13-15-16-17/h2-5,7-8H,6H2,1H3,(H,14,18).
What are the key properties of 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide?
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 265.70 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55110809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).