2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide

C15H18ClF3N6O4 — CID 168840878

IUPAC2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCCN1NNN=C1NC(=O)c1ccc(OC(F)(F)F)c(NC(=O)C(C)OC)c1Cl
InChIInChI=1S/C15H18ClF3N6O4/c1-4-25-14(22-23-24-25)21-13(27)8-5-6-9(29-15(17,18)19)11(10(8)16)20-12(26)7(2)28-3/h5-7,23-24H,4H2,1-3H3,(H,20,26)(H,21,22,27)
InChIKeyYLLUFWWTEQEFFP-UHFFFAOYSA-N
MW438.79 g/mol
LogP1.56
Rot. Bonds6

About 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide

2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide (PubChem CID 168840878) has the molecular formula C15H18ClF3N6O4 and a molecular weight of 438.79 g/mol. Its IUPAC name is 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide
PubChem CID168840878
Molecular FormulaC15H18ClF3N6O4
Molecular Weight438.79 g/mol
Exact Mass438.10
IUPAC Name2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCCN1NNN=C1NC(=O)c1ccc(OC(F)(F)F)c(NC(=O)C(C)OC)c1Cl
InChIInChI=1S/C15H18ClF3N6O4/c1-4-25-14(22-23-24-25)21-13(27)8-5-6-9(29-15(17,18)19)11(10(8)16)20-12(26)7(2)28-3/h5-7,23-24H,4H2,1-3H3,(H,20,26)(H,21,22,27)
InChIKeyYLLUFWWTEQEFFP-UHFFFAOYSA-N
XLogP1.56
TPSA116.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.79
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-[2-(methoxymethyl)butanoylamino]-4-(trifluoromethoxy)benzamide
CID 168841097
3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840965
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethoxy)benzamide
CID 170938722
2-chloro-3-[(2-ethoxyacetyl)amino]-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840996
2-chloro-N-(1-ethyltetrazol-5-yl)-3-(2-methylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168841014
2-chloro-3-(2,2-difluoropropanoylamino)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840922
2-chloro-3-(2-ethylbutanoylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168841030
N-[2-chloro-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 168840851
2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
CID 166505022
N-[2-chloro-3-[(1-methyltetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 168841016
2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 164529259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide (CID 168840878) is 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide is CCN1NNN=C1NC(=O)c1ccc(OC(F)(F)F)c(NC(=O)C(C)OC)c1Cl.
What is the InChIKey of 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide?
The InChIKey is YLLUFWWTEQEFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N6O4/c1-4-25-14(22-23-24-25)21-13(27)8-5-6-9(29-15(17,18)19)11(10(8)16)20-12(26)7(2)28-3/h5-7,23-24H,4H2,1-3H3,(H,20,26)(H,21,22,27).
What are the key properties of 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide?
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide has a molecular weight of 438.79 g/mol, XLogP of 1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 168840878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).