N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

C9H7ClFN5O — CID 2799348

IUPACN-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H7ClFN5O/c10-6-3-5(1-2-7(6)11)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16)
InChIKeyTXIVVPJIHSATMO-UHFFFAOYSA-N
MW255.64 g/mol
LogP1.17
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 2799348) has the molecular formula C9H7ClFN5O and a molecular weight of 255.64 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID2799348
Molecular FormulaC9H7ClFN5O
Molecular Weight255.64 g/mol
Exact Mass255.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H7ClFN5O/c10-6-3-5(1-2-7(6)11)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16)
InChIKeyTXIVVPJIHSATMO-UHFFFAOYSA-N
XLogP1.17
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
N-(3-chloro-4-fluorophenyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209314
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 710279
2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
CID 71914595
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 2799348) is N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is TXIVVPJIHSATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN5O/c10-6-3-5(1-2-7(6)11)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 255.64 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 2799348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).