N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C20H23ClN6O — CID 75358387

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(C)CCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN6O/c1-26(2)12-11-19(16-5-7-17(21)8-6-16)23-20(28)13-15-3-9-18(10-4-15)27-14-22-24-25-27/h3-10,14,19H,11-13H2,1-2H3,(H,23,28)
InChIKeyNPJGLVFCNOWDJW-UHFFFAOYSA-N
MW398.90 g/mol
LogP2.67
Rot. Bonds8

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 75358387) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID75358387
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(C)CCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN6O/c1-26(2)12-11-19(16-5-7-17(21)8-6-16)23-20(28)13-15-3-9-18(10-4-15)27-14-22-24-25-27/h3-10,14,19H,11-13H2,1-2H3,(H,23,28)
InChIKeyNPJGLVFCNOWDJW-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(tetrazol-1-yl)benzamide
CID 110278520
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 110278571
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55630277
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278378
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95637470
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 15983561
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278509
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 86945803
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 154748978

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 75358387) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is CN(C)CCC(NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is NPJGLVFCNOWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-26(2)12-11-19(16-5-7-17(21)8-6-16)23-20(28)13-15-3-9-18(10-4-15)27-14-22-24-25-27/h3-10,14,19H,11-13H2,1-2H3,(H,23,28).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 398.90 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 75358387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).