2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

C16H13ClFN5O2 — CID 134002158

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H13ClFN5O2/c1-23-16(20-21-22-23)10-3-2-4-11(7-10)19-15(24)9-25-12-5-6-14(18)13(17)8-12/h2-8H,9H2,1H3,(H,19,24)
InChIKeyRBODMYDYVZOMBA-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.69
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 134002158) has the molecular formula C16H13ClFN5O2 and a molecular weight of 361.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID134002158
Molecular FormulaC16H13ClFN5O2
Molecular Weight361.76 g/mol
Exact Mass361.07
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H13ClFN5O2/c1-23-16(20-21-22-23)10-3-2-4-11(7-10)19-15(24)9-25-12-5-6-14(18)13(17)8-12/h2-8H,9H2,1H3,(H,19,24)
InChIKeyRBODMYDYVZOMBA-UHFFFAOYSA-N
XLogP2.69
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122962
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686823
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617
2-(4-fluorophenoxy)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 39263320
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (CID 134002158) is 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is Cn1nnnc1-c1cccc(NC(=O)COc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is RBODMYDYVZOMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O2/c1-23-16(20-21-22-23)10-3-2-4-11(7-10)19-15(24)9-25-12-5-6-14(18)13(17)8-12/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 361.76 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 134002158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).