N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide

C19H17N5O2 — CID 39976175

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESC[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H17N5O2/c1-13(18-11-15-5-3-4-6-17(15)26-18)23(2)19(25)14-7-9-16(10-8-14)24-12-20-21-22-24/h3-13H,1-2H3/t13-/m1/s1
InChIKeyDHBNQKGPKDZDRT-CYBMUJFWSA-N
MW347.38 g/mol
LogP3.24
Rot. Bonds4

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 39976175) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID39976175
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESC[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H17N5O2/c1-13(18-11-15-5-3-4-6-17(15)26-18)23(2)19(25)14-7-9-16(10-8-14)24-12-20-21-22-24/h3-13H,1-2H3/t13-/m1/s1
InChIKeyDHBNQKGPKDZDRT-CYBMUJFWSA-N
XLogP3.24
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 46550910
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571557
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzamide
CID 46550836
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyrazine-2-carboxamide
CID 46550839
5-N-[1-(1-benzofuran-2-yl)ethyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46566930
N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 134054336
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 39976179
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide (CID 39976175) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide is C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is DHBNQKGPKDZDRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13(18-11-15-5-3-4-6-17(15)26-18)23(2)19(25)14-7-9-16(10-8-14)24-12-20-21-22-24/h3-13H,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 347.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39976175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).