3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

C21H23Cl2N5O2 — CID 91194653

IUPAC3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)cc(-n2nnnc2C(C)C)c1
InChIInChI=1S/C21H23Cl2N5O2/c1-12(2)20-25-26-27-28(20)17-8-14(18-6-5-16(22)10-19(18)23)7-15(9-17)21(29)24-13(3)11-30-4/h5-10,12-13H,11H2,1-4H3,(H,24,29)
InChIKeyVYAMRJFAHAPOIV-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.52
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (PubChem CID 91194653) has the molecular formula C21H23Cl2N5O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
PubChem CID91194653
Molecular FormulaC21H23Cl2N5O2
Molecular Weight448.35 g/mol
Exact Mass447.12
IUPAC Name3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)cc(-n2nnnc2C(C)C)c1
InChIInChI=1S/C21H23Cl2N5O2/c1-12(2)20-25-26-27-28(20)17-8-14(18-6-5-16(22)10-19(18)23)7-15(9-17)21(29)24-13(3)11-30-4/h5-10,12-13H,11H2,1-4H3,(H,24,29)
InChIKeyVYAMRJFAHAPOIV-UHFFFAOYSA-N
XLogP4.52
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-chloro-2-fluorophenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505921
[3-(2-chloro-4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)phenyl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 122505879
3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 44600198
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90728432
[3-(2-chloro-4-fluorophenyl)-5-(5-ethyltetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate
CID 122505937
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
N-[1-[[(2R)-3-chloro-2-fluoropropyl]amino]propan-2-yl]-3-(2-chloro-4-methylphenyl)-5-(5-ethyltetrazol-1-yl)benzamide
CID 90844883
3-(2-chloro-4-fluorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(5-methyltetrazol-1-yl)benzamide
CID 76643022
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
3-(2-fluorophenyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid
CID 71299891
3-(5-chloro-2-pyridinyl)-N-[(3,5-difluoro-2-pyridinyl)methyl]-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 66664707
N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90926757

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (CID 91194653) is 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is COCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)cc(-n2nnnc2C(C)C)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The InChIKey is VYAMRJFAHAPOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O2/c1-12(2)20-25-26-27-28(20)17-8-14(18-6-5-16(22)10-19(18)23)7-15(9-17)21(29)24-13(3)11-30-4/h5-10,12-13H,11H2,1-4H3,(H,24,29).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide has a molecular weight of 448.35 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is sourced from PubChem (CID 91194653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).