N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide

C13H14ClFN6O — CID 75470219

IUPACN-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1CCN(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H14ClFN6O/c14-11-2-1-10(5-12(11)15)20-4-3-9(6-20)17-13(22)7-21-8-16-18-19-21/h1-2,5,8-9H,3-4,6-7H2,(H,17,22)
InChIKeyDVIVDHGWVGHRBC-UHFFFAOYSA-N
MW324.75 g/mol
LogP0.86
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide

N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 75470219) has the molecular formula C13H14ClFN6O and a molecular weight of 324.75 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID75470219
Molecular FormulaC13H14ClFN6O
Molecular Weight324.75 g/mol
Exact Mass324.09
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1CCN(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H14ClFN6O/c14-11-2-1-10(5-12(11)15)20-4-3-9(6-20)17-13(22)7-21-8-16-18-19-21/h1-2,5,8-9H,3-4,6-7H2,(H,17,22)
InChIKeyDVIVDHGWVGHRBC-UHFFFAOYSA-N
XLogP0.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-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

Related Compounds

N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 124564998
3-[[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066406
N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 138996050
4-N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 138996052
2-[[[[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110049336
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-2-propan-2-ylsulfonylacetamide
CID 131961110
2-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]acetyl chloride
CID 148838522
N-[4-(methylamino)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 79111193
N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide
CID 95767850
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide
CID 92572443
(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
CID 161148090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide (CID 75470219) is N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NC1CCN(c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is DVIVDHGWVGHRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN6O/c14-11-2-1-10(5-12(11)15)20-4-3-9(6-20)17-13(22)7-21-8-16-18-19-21/h1-2,5,8-9H,3-4,6-7H2,(H,17,22).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 324.75 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 75470219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).