N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide

C18H18N6O — CID 167959394

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide
SMILESO=C(CNc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N6O/c25-18(21-16-5-4-13-2-1-3-14(13)10-16)11-19-15-6-8-17(9-7-15)24-12-20-22-23-24/h4-10,12,19H,1-3,11H2,(H,21,25)
InChIKeyDLYZGMMOYHTMTB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.20
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide (PubChem CID 167959394) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide
PubChem CID167959394
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide
SMILESO=C(CNc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N6O/c25-18(21-16-5-4-13-2-1-3-14(13)10-16)11-19-15-6-8-17(9-7-15)24-12-20-22-23-24/h4-10,12,19H,1-3,11H2,(H,21,25)
InChIKeyDLYZGMMOYHTMTB-UHFFFAOYSA-N
XLogP2.20
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2668636
2-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 25344863
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46643291
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone
CID 94816194
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 651056
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30876196

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide (CID 167959394) is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide is O=C(CNc1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide?
The InChIKey is DLYZGMMOYHTMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(21-16-5-4-13-2-1-3-14(13)10-16)11-19-15-6-8-17(9-7-15)24-12-20-22-23-24/h4-10,12,19H,1-3,11H2,(H,21,25).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 167959394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).