N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide

C11H12ClN5O — CID 5298021

IUPACN-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCn1cnnn1
InChIInChI=1S/C11H12ClN5O/c1-8-9(12)3-2-4-10(8)14-11(18)5-6-17-7-13-15-16-17/h2-4,7H,5-6H2,1H3,(H,14,18)
InChIKeyDIMPJBSJYDXKGB-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.66
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide

N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide (PubChem CID 5298021) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide
PubChem CID5298021
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCn1cnnn1
InChIInChI=1S/C11H12ClN5O/c1-8-9(12)3-2-4-10(8)14-11(18)5-6-17-7-13-15-16-17/h2-4,7H,5-6H2,1H3,(H,14,18)
InChIKeyDIMPJBSJYDXKGB-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 1477643
N-(3-chloro-2-methylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
CID 5002102
1-(3-Chloro-2-methylphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 17278360
N-(3,4-dichlorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511453
N-(2,5-dimethylphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5296923
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N-(2,4-dichlorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511530
N-(3-methylphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5297177
N-(5-fluoro-2-methylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 41678287
N-(5-chloro-2-methylphenyl)-2-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 16004411
2-((4-Amino-4H-1,2,4-triazol-3-YL)thio)-N-(3-chloro-2-methylphenyl)acetamide
CID 3419169
N-(3-chloro-2-methylphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 2258120

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide (CID 5298021) is N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide is Cc1c(Cl)cccc1NC(=O)CCn1cnnn1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is DIMPJBSJYDXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-8-9(12)3-2-4-10(8)14-11(18)5-6-17-7-13-15-16-17/h2-4,7H,5-6H2,1H3,(H,14,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 265.70 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 5298021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).