3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide

C24H21Cl2N5O3 — CID 25252656

IUPAC3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cc(Cl)ccc3Cl)cc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C24H21Cl2N5O3/c1-33-22-6-3-15(9-23(22)34-2)7-8-27-24(32)17-10-16(20-13-18(25)4-5-21(20)26)11-19(12-17)31-14-28-29-30-31/h3-6,9-14H,7-8H2,1-2H3,(H,27,32)
InChIKeyBEWPHYFHMDETBE-UHFFFAOYSA-N
MW498.37 g/mol
LogP4.63
Rot. Bonds8

About 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide

3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide (PubChem CID 25252656) has the molecular formula C24H21Cl2N5O3 and a molecular weight of 498.37 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
PubChem CID25252656
Molecular FormulaC24H21Cl2N5O3
Molecular Weight498.37 g/mol
Exact Mass497.10
IUPAC Name3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cc(Cl)ccc3Cl)cc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C24H21Cl2N5O3/c1-33-22-6-3-15(9-23(22)34-2)7-8-27-24(32)17-10-16(20-13-18(25)4-5-21(20)26)11-19(12-17)31-14-28-29-30-31/h3-6,9-14H,7-8H2,1-2H3,(H,27,32)
InChIKeyBEWPHYFHMDETBE-UHFFFAOYSA-N
XLogP4.63
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25255134
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252796
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylsulfanylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252658
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765
N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195562
4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 143074949
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide (CID 25252656) is 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide is COc1ccc(CCNC(=O)c2cc(-c3cc(Cl)ccc3Cl)cc(-n3cnnn3)c2)cc1OC.
What is the InChIKey of 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide?
The InChIKey is BEWPHYFHMDETBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O3/c1-33-22-6-3-15(9-23(22)34-2)7-8-27-24(32)17-10-16(20-13-18(25)4-5-21(20)26)11-19(12-17)31-14-28-29-30-31/h3-6,9-14H,7-8H2,1-2H3,(H,27,32).
What are the key properties of 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide?
3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide has a molecular weight of 498.37 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 25252656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).