3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide

C20H23ClN6O — CID 45488654

IUPAC3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C20H23ClN6O/c1-3-26(4-2)10-9-22-20(28)17-11-16(15-5-7-18(21)8-6-15)12-19(13-17)27-14-23-24-25-27/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,22,28)
InChIKeyDZNCSVFAMFGOLI-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.05
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide

3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide (PubChem CID 45488654) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide
PubChem CID45488654
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC Name3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C20H23ClN6O/c1-3-26(4-2)10-9-22-20(28)17-11-16(15-5-7-18(21)8-6-15)12-19(13-17)27-14-23-24-25-27/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,22,28)
InChIKeyDZNCSVFAMFGOLI-UHFFFAOYSA-N
XLogP3.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N1-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-N3,N3-diisobutyl-5-methylisophthalamide
CID 51003506
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclohexyl(methylsulfonyl)amino]-5-methylbenzamide
CID 53326298
3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7693798
N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
2-chloro-N-cyclohexyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834474
2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834482
4-chloro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2330456
N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide
CID 45198838
N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 45488278
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclopentyl(methylsulfonyl)amino]-5-methylbenzamide
CID 53317109
N-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-3-(4-isobutylpiperidin-3-yl)-5-methylbenzamide
CID 53323725
N-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-3-(N-cyclohexylacetamido)-5-methylbenzamide
CID 53323726

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide (CID 45488654) is 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide is CCN(CC)CCNC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide?
The InChIKey is DZNCSVFAMFGOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-3-26(4-2)10-9-22-20(28)17-11-16(15-5-7-18(21)8-6-15)12-19(13-17)27-14-23-24-25-27/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,22,28).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide?
3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide has a molecular weight of 398.90 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 45488654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).