[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate

C18H15Cl2N5O3 — CID 34700977

IUPAC[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H15Cl2N5O3/c1-24(9-12-6-7-14(19)15(20)8-12)17(26)10-28-18(27)13-4-2-3-5-16(13)25-11-21-22-23-25/h2-8,11H,9-10H2,1H3
InChIKeyWMWOBKFDTQWOGH-UHFFFAOYSA-N
MW420.26 g/mol
LogP2.78
Rot. Bonds6

About [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate

[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (PubChem CID 34700977) has the molecular formula C18H15Cl2N5O3 and a molecular weight of 420.26 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
PubChem CID34700977
Molecular FormulaC18H15Cl2N5O3
Molecular Weight420.26 g/mol
Exact Mass419.06
IUPAC Name[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H15Cl2N5O3/c1-24(9-12-6-7-14(19)15(20)8-12)17(26)10-28-18(27)13-4-2-3-5-16(13)25-11-21-22-23-25/h2-8,11H,9-10H2,1H3
InChIKeyWMWOBKFDTQWOGH-UHFFFAOYSA-N
XLogP2.78
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 55400799
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289386
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 55467507
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343700
N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 78768535
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 34089285
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 35188399
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 27867956
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399552
2-(2-acetylphenoxy)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112795602
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 34193774
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 55397064

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (CID 34700977) is [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccccc1-n1cnnn1.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The InChIKey is WMWOBKFDTQWOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O3/c1-24(9-12-6-7-14(19)15(20)8-12)17(26)10-28-18(27)13-4-2-3-5-16(13)25-11-21-22-23-25/h2-8,11H,9-10H2,1H3.
What are the key properties of [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate has a molecular weight of 420.26 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 34700977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).