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

C16H13ClFN5O — CID 52852200

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFN5O/c17-14-7-12(3-6-15(14)18)9-19-16(24)8-11-1-4-13(5-2-11)23-10-20-21-22-23/h1-7,10H,8-9H2,(H,19,24)
InChIKeyDJOLSKVNBAQOER-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.31
Rot. Bonds5

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

N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 52852200) has the molecular formula C16H13ClFN5O and a molecular weight of 345.77 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID52852200
Molecular FormulaC16H13ClFN5O
Molecular Weight345.77 g/mol
Exact Mass345.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFN5O/c17-14-7-12(3-6-15(14)18)9-19-16(24)8-11-1-4-13(5-2-11)23-10-20-21-22-23/h1-7,10H,8-9H2,(H,19,24)
InChIKeyDJOLSKVNBAQOER-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55601487
N-[2-(2-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601437
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631991
N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709053
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571261
N'-[(3-chloro-4-fluorophenyl)methyl]oxamide
CID 115191859
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52583686
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55847022
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
1-(3-chloro-4-fluorophenyl)-3-[4-(tetrazol-1-yl)phenyl]thiourea
CID 21008637

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 52852200) is N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is DJOLSKVNBAQOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c17-14-7-12(3-6-15(14)18)9-19-16(24)8-11-1-4-13(5-2-11)23-10-20-21-22-23/h1-7,10H,8-9H2,(H,19,24).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 345.77 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 52852200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).