N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide

C19H19N5O2 — CID 31425253

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(-n3cnnn3)c2)C2CC2)cc1
InChIInChI=1S/C19H19N5O2/c1-26-18-9-5-14(6-10-18)12-23(16-7-8-16)19(25)15-3-2-4-17(11-15)24-13-20-21-22-24/h2-6,9-11,13,16H,7-8,12H2,1H3
InChIKeyQIVQQDCHBYTZST-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds6

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 31425253) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID31425253
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(-n3cnnn3)c2)C2CC2)cc1
InChIInChI=1S/C19H19N5O2/c1-26-18-9-5-14(6-10-18)12-23(16-7-8-16)19(25)15-3-2-4-17(11-15)24-13-20-21-22-24/h2-6,9-11,13,16H,7-8,12H2,1H3
InChIKeyQIVQQDCHBYTZST-UHFFFAOYSA-N
XLogP2.48
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide (CID 31425253) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide is COc1ccc(CN(C(=O)c2cccc(-n3cnnn3)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is QIVQQDCHBYTZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-18-9-5-14(6-10-18)12-23(16-7-8-16)19(25)15-3-2-4-17(11-15)24-13-20-21-22-24/h2-6,9-11,13,16H,7-8,12H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 31425253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).