3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide

C17H15Cl2N5O — CID 55780794

IUPAC3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O/c1-11-2-6-14(24-10-20-22-23-24)9-16(11)21-17(25)7-4-12-3-5-13(18)8-15(12)19/h2-3,5-6,8-10H,4,7H2,1H3,(H,21,25)
InChIKeyARPUWPMAPTVPHM-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.85
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide

3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 55780794) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide
PubChem CID55780794
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O/c1-11-2-6-14(24-10-20-22-23-24)9-16(11)21-17(25)7-4-12-3-5-13(18)8-15(12)19/h2-3,5-6,8-10H,4,7H2,1H3,(H,21,25)
InChIKeyARPUWPMAPTVPHM-UHFFFAOYSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 47047464
4-tert-butyl-N-[3-[2-methyl-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55780761
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
CID 60581267

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide (CID 55780794) is 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide is Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is ARPUWPMAPTVPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-11-2-6-14(24-10-20-22-23-24)9-16(11)21-17(25)7-4-12-3-5-13(18)8-15(12)19/h2-3,5-6,8-10H,4,7H2,1H3,(H,21,25).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide?
3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 376.25 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55780794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).