N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide

C18H19ClN6O — CID 51179576

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H19ClN6O/c1-24(2)17(15-5-3-4-6-16(15)19)11-20-18(26)13-7-9-14(10-8-13)25-12-21-22-23-25/h3-10,12,17H,11H2,1-2H3,(H,20,26)
InChIKeyNYVHSUFXMNDJKC-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 51179576) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID51179576
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H19ClN6O/c1-24(2)17(15-5-3-4-6-16(15)19)11-20-18(26)13-7-9-14(10-8-13)25-12-21-22-23-25/h3-10,12,17H,11H2,1-2H3,(H,20,26)
InChIKeyNYVHSUFXMNDJKC-UHFFFAOYSA-N
XLogP2.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide (CID 51179576) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide is CN(C)C(CNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is NYVHSUFXMNDJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-24(2)17(15-5-3-4-6-16(15)19)11-20-18(26)13-7-9-14(10-8-13)25-12-21-22-23-25/h3-10,12,17H,11H2,1-2H3,(H,20,26).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 370.84 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51179576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).