N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide

C13H11ClF3N5O — CID 99835357

IUPACN-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C13H11ClF3N5O/c14-10-2-1-8(13(15,16)17)5-9(10)12(3-4-12)19-11(23)6-22-7-18-20-21-22/h1-2,5,7H,3-4,6H2,(H,19,23)
InChIKeyIOAPWZNWPWIGDV-UHFFFAOYSA-N
MW345.71 g/mol
LogP2.15
Rot. Bonds4

About N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide

N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 99835357) has the molecular formula C13H11ClF3N5O and a molecular weight of 345.71 g/mol. Its IUPAC name is N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide
PubChem CID99835357
Molecular FormulaC13H11ClF3N5O
Molecular Weight345.71 g/mol
Exact Mass345.06
IUPAC NameN-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C13H11ClF3N5O/c14-10-2-1-8(13(15,16)17)5-9(10)12(3-4-12)19-11(23)6-22-7-18-20-21-22/h1-2,5,7H,3-4,6H2,(H,19,23)
InChIKeyIOAPWZNWPWIGDV-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide (CID 99835357) is N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is IOAPWZNWPWIGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N5O/c14-10-2-1-8(13(15,16)17)5-9(10)12(3-4-12)19-11(23)6-22-7-18-20-21-22/h1-2,5,7H,3-4,6H2,(H,19,23).
What are the key properties of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide?
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 345.71 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 99835357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).