N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide

C19H19N5O2 — CID 72933785

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2C1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C19H19N5O2/c25-19(16-7-5-14(6-8-16)11-24-13-21-22-23-24)20-10-15-9-17-3-1-2-4-18(17)26-12-15/h1-8,13,15H,9-12H2,(H,20,25)
InChIKeyHGLQMMQNCOHCQR-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.70
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 72933785) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID72933785
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2C1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C19H19N5O2/c25-19(16-7-5-14(6-8-16)11-24-13-21-22-23-24)20-10-15-9-17-3-1-2-4-18(17)26-12-15/h1-8,13,15H,9-12H2,(H,20,25)
InChIKeyHGLQMMQNCOHCQR-UHFFFAOYSA-N
XLogP1.70
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 94142976
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394774
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 94232204
4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 51212101
N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-3-(tetrazol-1-yl)propanamide
CID 97190743
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 97149544
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 72935726

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide (CID 72933785) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide is O=C(NCC1COc2ccccc2C1)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is HGLQMMQNCOHCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(16-7-5-14(6-8-16)11-24-13-21-22-23-24)20-10-15-9-17-3-1-2-4-18(17)26-12-15/h1-8,13,15H,9-12H2,(H,20,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 72933785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).