4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide

C19H18BrN5O3 — CID 30702128

IUPAC4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc(OC)c1Br
InChIInChI=1S/C19H18BrN5O3/c1-27-15-9-12(10-16(28-2)17(15)20)19(26)21-13-5-3-11(4-6-13)18-22-23-24-25(18)14-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3,(H,21,26)
InChIKeyAEYPTNIZYIZRAD-UHFFFAOYSA-N
MW444.29 g/mol
LogP3.71
Rot. Bonds6

About 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide

4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 30702128) has the molecular formula C19H18BrN5O3 and a molecular weight of 444.29 g/mol. Its IUPAC name is 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
PubChem CID30702128
Molecular FormulaC19H18BrN5O3
Molecular Weight444.29 g/mol
Exact Mass443.06
IUPAC Name4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc(OC)c1Br
InChIInChI=1S/C19H18BrN5O3/c1-27-15-9-12(10-16(28-2)17(15)20)19(26)21-13-5-3-11(4-6-13)18-22-23-24-25(18)14-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3,(H,21,26)
InChIKeyAEYPTNIZYIZRAD-UHFFFAOYSA-N
XLogP3.71
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
3-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methoxybenzenesulfonamide
CID 36590994
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide
CID 86893928
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30765806
4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26705752
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 46548477
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46538553
N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871891
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide (CID 30702128) is 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is AEYPTNIZYIZRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O3/c1-27-15-9-12(10-16(28-2)17(15)20)19(26)21-13-5-3-11(4-6-13)18-22-23-24-25(18)14-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3,(H,21,26).
What are the key properties of 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide?
4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 444.29 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 30702128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).