N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C16H13Cl2N5O2 — CID 2709053

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N5O2/c17-12-2-1-11(15(18)7-12)8-19-16(24)9-25-14-5-3-13(4-6-14)23-10-20-21-22-23/h1-7,10H,8-9H2,(H,19,24)
InChIKeyXURRRCINLVTZRF-UHFFFAOYSA-N
MW378.22 g/mol
LogP2.66
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2709053) has the molecular formula C16H13Cl2N5O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2709053
Molecular FormulaC16H13Cl2N5O2
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N5O2/c17-12-2-1-11(15(18)7-12)8-19-16(24)9-25-14-5-3-13(4-6-14)23-10-20-21-22-23/h1-7,10H,8-9H2,(H,19,24)
InChIKeyXURRRCINLVTZRF-UHFFFAOYSA-N
XLogP2.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571261
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 40769610
N-(1,3-benzothiazol-7-ylmethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 163314103
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
N-(2,3-dichlorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1135809
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 46814565
N-[(1-propylimidazol-2-yl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 122567228
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1139897
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 50777011
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 35329651

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 2709053) is N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1ccc(-n2cnnn2)cc1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is XURRRCINLVTZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O2/c17-12-2-1-11(15(18)7-12)8-19-16(24)9-25-14-5-3-13(4-6-14)23-10-20-21-22-23/h1-7,10H,8-9H2,(H,19,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 378.22 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2709053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).