N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide

C13H13Cl2N5O — CID 146124191

IUPACN-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N(Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C13H13Cl2N5O/c14-11-2-1-3-12(15)10(11)6-20(9-4-5-9)13(21)7-19-8-16-17-18-19/h1-3,8-9H,4-7H2
InChIKeyYXRGDHOIALTGCO-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.17
Rot. Bonds5

About N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide

N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 146124191) has the molecular formula C13H13Cl2N5O and a molecular weight of 326.19 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID146124191
Molecular FormulaC13H13Cl2N5O
Molecular Weight326.19 g/mol
Exact Mass325.05
IUPAC NameN-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N(Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C13H13Cl2N5O/c14-11-2-1-3-12(15)10(11)6-20(9-4-5-9)13(21)7-19-8-16-17-18-19/h1-3,8-9H,4-7H2
InChIKeyYXRGDHOIALTGCO-UHFFFAOYSA-N
XLogP2.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide (CID 146124191) is N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N(Cc1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is YXRGDHOIALTGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5O/c14-11-2-1-3-12(15)10(11)6-20(9-4-5-9)13(21)7-19-8-16-17-18-19/h1-3,8-9H,4-7H2.
What are the key properties of N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide?
N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 326.19 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 146124191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).