N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide

C17H15N5O2 — CID 39952228

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H15N5O2/c23-17(12-4-3-5-13(10-12)22-11-18-20-21-22)19-15-8-9-24-16-7-2-1-6-14(15)16/h1-7,10-11,15H,8-9H2,(H,19,23)/t15-/m1/s1
InChIKeyYMDWDHJTJHIVJC-OAHLLOKOSA-N
MW321.34 g/mol
LogP1.92
Rot. Bonds3

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 39952228) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID39952228
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H15N5O2/c23-17(12-4-3-5-13(10-12)22-11-18-20-21-22)19-15-8-9-24-16-7-2-1-6-14(15)16/h1-7,10-11,15H,8-9H2,(H,19,23)/t15-/m1/s1
InChIKeyYMDWDHJTJHIVJC-OAHLLOKOSA-N
XLogP1.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18115302
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
CID 47035719
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 47005048
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087861

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide (CID 39952228) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide is O=C(N[C@@H]1CCOc2ccccc21)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is YMDWDHJTJHIVJC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-17(12-4-3-5-13(10-12)22-11-18-20-21-22)19-15-8-9-24-16-7-2-1-6-14(15)16/h1-7,10-11,15H,8-9H2,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 321.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39952228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).