N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide

C9H6ClF2N5O — CID 103514936

IUPACN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1Cl)C(F)F
InChIInChI=1S/C9H6ClF2N5O/c10-6-2-1-5(17-4-13-15-16-17)3-7(6)14-9(18)8(11)12/h1-4,8H,(H,14,18)
InChIKeyPOEFGKYXJMQQPS-UHFFFAOYSA-N
MW273.63 g/mol
LogP1.52
Rot. Bonds3

About N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide (PubChem CID 103514936) has the molecular formula C9H6ClF2N5O and a molecular weight of 273.63 g/mol. Its IUPAC name is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
PubChem CID103514936
Molecular FormulaC9H6ClF2N5O
Molecular Weight273.63 g/mol
Exact Mass273.02
IUPAC NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1Cl)C(F)F
InChIInChI=1S/C9H6ClF2N5O/c10-6-2-1-5(17-4-13-15-16-17)3-7(6)14-9(18)8(11)12/h1-4,8H,(H,14,18)
InChIKeyPOEFGKYXJMQQPS-UHFFFAOYSA-N
XLogP1.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.63
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 61178561
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 61178741
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196426
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838819
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
CID 60581267
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 2669049
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[[2-(2-methylpropyl)phenyl]methylsulfanyl]acetamide
CID 167981321
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 50777053
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide (CID 103514936) is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide is O=C(Nc1cc(-n2cnnn2)ccc1Cl)C(F)F.
What is the InChIKey of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide?
The InChIKey is POEFGKYXJMQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF2N5O/c10-6-2-1-5(17-4-13-15-16-17)3-7(6)14-9(18)8(11)12/h1-4,8H,(H,14,18).
What are the key properties of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide?
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide has a molecular weight of 273.63 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103514936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).