5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide

C20H21ClN6O — CID 167941397

IUPAC5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)ccc2-n2cnnn2)c(N2CCCC2)c1
InChIInChI=1S/C20H21ClN6O/c1-14-4-5-15(19(10-14)26-8-2-3-9-26)12-22-20(28)17-11-16(21)6-7-18(17)27-13-23-24-25-27/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,22,28)
InChIKeyHGKOFBIUYTWFDX-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.15
Rot. Bonds5

About 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide

5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 167941397) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID167941397
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)ccc2-n2cnnn2)c(N2CCCC2)c1
InChIInChI=1S/C20H21ClN6O/c1-14-4-5-15(19(10-14)26-8-2-3-9-26)12-22-20(28)17-11-16(21)6-7-18(17)27-13-23-24-25-27/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,22,28)
InChIKeyHGKOFBIUYTWFDX-UHFFFAOYSA-N
XLogP3.15
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 39918772
(2S)-2-[[2-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694899
5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119509965
5-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55668878
5-chloro-N-(2-methylpiperidin-3-yl)-2-(tetrazol-1-yl)benzamide
CID 120576545
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
CID 70532427
5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
CID 32609786
N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97053449
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
CID 39896622
2-chloro-5-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
CID 55674423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide (CID 167941397) is 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide is Cc1ccc(CNC(=O)c2cc(Cl)ccc2-n2cnnn2)c(N2CCCC2)c1.
What is the InChIKey of 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is HGKOFBIUYTWFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-14-4-5-15(19(10-14)26-8-2-3-9-26)12-22-20(28)17-11-16(21)6-7-18(17)27-13-23-24-25-27/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,22,28).
What are the key properties of 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide?
5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 396.88 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 167941397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).