5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole

C16H11ClF3N5 — CID 177336970

IUPAC5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole
SMILESFc1ccc(CN2CCc3cc(Cl)c(F)c(-c4nn[nH]n4)c32)cc1F
InChIInChI=1S/C16H11ClF3N5/c17-10-6-9-3-4-25(7-8-1-2-11(18)12(19)5-8)15(9)13(14(10)20)16-21-23-24-22-16/h1-2,5-6H,3-4,7H2,(H,21,22,23,24)
InChIKeyQFSPXJXUICPJST-UHFFFAOYSA-N
MW365.75 g/mol
LogP3.50
Rot. Bonds3

About 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole

5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole (PubChem CID 177336970) has the molecular formula C16H11ClF3N5 and a molecular weight of 365.75 g/mol. Its IUPAC name is 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole
PubChem CID177336970
Molecular FormulaC16H11ClF3N5
Molecular Weight365.75 g/mol
Exact Mass365.07
IUPAC Name5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole
SMILESFc1ccc(CN2CCc3cc(Cl)c(F)c(-c4nn[nH]n4)c32)cc1F
InChIInChI=1S/C16H11ClF3N5/c17-10-6-9-3-4-25(7-8-1-2-11(18)12(19)5-8)15(9)13(14(10)20)16-21-23-24-22-16/h1-2,5-6H,3-4,7H2,(H,21,22,23,24)
InChIKeyQFSPXJXUICPJST-UHFFFAOYSA-N
XLogP3.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole 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

7-chloro-6-fluoro-4-[(3-fluoro-4-methoxyphenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzoxazine
CID 177336829
5-(2,3-difluoro-5,6,7,8-tetrahydronaphthalen-1-yl)-2H-tetrazole
CID 177336757
5-(7-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-2H-tetrazole
CID 177336440
7-chloro-6-fluoro-4-(4-fluorobutyl)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzoxazine
CID 177336456
5-chloro-6-fluoro-1-[(1-fluorocyclopropyl)methyl]-7-(2H-tetrazol-5-yl)indole
CID 177337070
1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662248
6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydroindole
CID 141418349
1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione
CID 79515942
5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole
CID 177336999
5-chloro-1-[(3,3-difluorocyclobutyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)indole
CID 177337084
5-(6-chloro-5-methyl-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole
CID 177337042
2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole?
The IUPAC name of 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole (CID 177336970) is 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole?
The canonical SMILES for 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole is Fc1ccc(CN2CCc3cc(Cl)c(F)c(-c4nn[nH]n4)c32)cc1F.
What is the InChIKey of 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole?
The InChIKey is QFSPXJXUICPJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5/c17-10-6-9-3-4-25(7-8-1-2-11(18)12(19)5-8)15(9)13(14(10)20)16-21-23-24-22-16/h1-2,5-6H,3-4,7H2,(H,21,22,23,24).
What are the key properties of 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole?
5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole has a molecular weight of 365.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3,4-difluorophenyl)methyl]-6-fluoro-7-(2H-tetrazol-5-yl)-2,3-dihydroindole is sourced from PubChem (CID 177336970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).