N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide

C19H19N5O2 — CID 41181754

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C19H19N5O2/c1-26-12-13-5-7-14(8-6-13)19(25)20-16-4-2-3-15(11-16)18-21-22-23-24(18)17-9-10-17/h2-8,11,17H,9-10,12H2,1H3,(H,20,25)
InChIKeyOWPBFFCDVSDCHR-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.07
Rot. Bonds6

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide (PubChem CID 41181754) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
PubChem CID41181754
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C19H19N5O2/c1-26-12-13-5-7-14(8-6-13)19(25)20-16-4-2-3-15(11-16)18-21-22-23-24(18)17-9-10-17/h2-8,11,17H,9-10,12H2,1H3,(H,20,25)
InChIKeyOWPBFFCDVSDCHR-UHFFFAOYSA-N
XLogP3.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41182442
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 39688585
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 24590722
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619470
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 41172527
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 41172918
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide (CID 41181754) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide?
The InChIKey is OWPBFFCDVSDCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-12-13-5-7-14(8-6-13)19(25)20-16-4-2-3-15(11-16)18-21-22-23-24(18)17-9-10-17/h2-8,11,17H,9-10,12H2,1H3,(H,20,25).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 41181754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).