4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide

C16H13ClFN5O — CID 52901800

IUPAC4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1cccc(F)c1)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C16H13ClFN5O/c17-12-4-5-14(15(9-12)23-10-20-21-22-23)16(24)19-7-6-11-2-1-3-13(18)8-11/h1-5,8-10H,6-7H2,(H,19,24)
InChIKeyHIRROPTYJUDSFJ-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.43
Rot. Bonds5

About 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide

4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 52901800) has the molecular formula C16H13ClFN5O and a molecular weight of 345.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID52901800
Molecular FormulaC16H13ClFN5O
Molecular Weight345.77 g/mol
Exact Mass345.08
IUPAC Name4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1cccc(F)c1)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C16H13ClFN5O/c17-12-4-5-14(15(9-12)23-10-20-21-22-23)16(24)19-7-6-11-2-1-3-13(18)8-11/h1-5,8-10H,6-7H2,(H,19,24)
InChIKeyHIRROPTYJUDSFJ-UHFFFAOYSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 29131778
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 75490916
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 56761342
methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 29139683
N-(2,5-dichlorophenyl)-4-fluoro-2-(tetrazol-1-yl)benzamide
CID 29129325
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 52901800) is 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide is O=C(NCCc1cccc(F)c1)c1ccc(Cl)cc1-n1cnnn1.
What is the InChIKey of 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is HIRROPTYJUDSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c17-12-4-5-14(15(9-12)23-10-20-21-22-23)16(24)19-7-6-11-2-1-3-13(18)8-11/h1-5,8-10H,6-7H2,(H,19,24).
What are the key properties of 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 345.77 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 52901800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).