N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide

C18H19FN6O — CID 43072487

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(-n2cnnn2)c1)c1cccc(F)c1
InChIInChI=1S/C18H19FN6O/c1-24(2)17(13-5-3-7-15(19)9-13)11-20-18(26)14-6-4-8-16(10-14)25-12-21-22-23-25/h3-10,12,17H,11H2,1-2H3,(H,20,26)
InChIKeyXGBFGPQWYSCRME-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.83
Rot. Bonds6

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 43072487) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID43072487
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(-n2cnnn2)c1)c1cccc(F)c1
InChIInChI=1S/C18H19FN6O/c1-24(2)17(13-5-3-7-15(19)9-13)11-20-18(26)14-6-4-8-16(10-14)25-12-21-22-23-25/h3-10,12,17H,11H2,1-2H3,(H,20,26)
InChIKeyXGBFGPQWYSCRME-UHFFFAOYSA-N
XLogP1.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 51126901
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46522445
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46522469
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide
CID 110301921
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide (CID 43072487) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide is CN(C)C(CNC(=O)c1cccc(-n2cnnn2)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is XGBFGPQWYSCRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-24(2)17(13-5-3-7-15(19)9-13)11-20-18(26)14-6-4-8-16(10-14)25-12-21-22-23-25/h3-10,12,17H,11H2,1-2H3,(H,20,26).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 354.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 43072487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).