[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate

C16H11ClF3N5O2 — CID 91063375

IUPAC[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate
SMILESCN(C(=O)Oc1ccc(Cl)cc1C(F)(F)F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11ClF3N5O2/c1-24(11-3-2-4-12(8-11)25-9-21-22-23-25)15(26)27-14-6-5-10(17)7-13(14)16(18,19)20/h2-9H,1H3
InChIKeyNDJDFNBKIPKDIK-UHFFFAOYSA-N
MW397.74 g/mol
LogP3.97
Rot. Bonds3

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

[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate (PubChem CID 91063375) has the molecular formula C16H11ClF3N5O2 and a molecular weight of 397.74 g/mol. Its IUPAC name is [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate.

Molecular Properties

Compound Name[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate
PubChem CID91063375
Molecular FormulaC16H11ClF3N5O2
Molecular Weight397.74 g/mol
Exact Mass397.06
IUPAC Name[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate
SMILESCN(C(=O)Oc1ccc(Cl)cc1C(F)(F)F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11ClF3N5O2/c1-24(11-3-2-4-12(8-11)25-9-21-22-23-25)15(26)27-14-6-5-10(17)7-13(14)16(18,19)20/h2-9H,1H3
InChIKeyNDJDFNBKIPKDIK-UHFFFAOYSA-N
XLogP3.97
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate
CID 90944692
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 55642801
[4-chloro-2-(trifluoromethyl)phenyl] acetate
CID 118592870
bis[4-chloro-2-(trifluoromethyl)phenyl] oxalate
CID 118592938
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-iodo-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 90125187
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 59708615
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate?
The IUPAC name of [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate (CID 91063375) is [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate.
What is the SMILES notation for [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate?
The canonical SMILES for [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate is CN(C(=O)Oc1ccc(Cl)cc1C(F)(F)F)c1cccc(-n2cnnn2)c1.
What is the InChIKey of [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate?
The InChIKey is NDJDFNBKIPKDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5O2/c1-24(11-3-2-4-12(8-11)25-9-21-22-23-25)15(26)27-14-6-5-10(17)7-13(14)16(18,19)20/h2-9H,1H3.
What are the key properties of [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate?
[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate has a molecular weight of 397.74 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate is sourced from PubChem (CID 91063375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).