3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide

C12H14BrN5O2 — CID 960223

IUPAC3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H14BrN5O2/c1-3-6-18-12(15-16-17-18)14-11(19)8-4-5-10(20-2)9(13)7-8/h4-5,7H,3,6H2,1-2H3,(H,14,15,17,19)
InChIKeyKSJXHQHTYJOQFI-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.11
Rot. Bonds5

About 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide

3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide (PubChem CID 960223) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide
PubChem CID960223
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H14BrN5O2/c1-3-6-18-12(15-16-17-18)14-11(19)8-4-5-10(20-2)9(13)7-8/h4-5,7H,3,6H2,1-2H3,(H,14,15,17,19)
InChIKeyKSJXHQHTYJOQFI-UHFFFAOYSA-N
XLogP2.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-methoxy-N-(1-propyltetrazol-5-yl)benzamide
CID 892036
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
2-bromo-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
CID 4500460
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-(3,5-dibromo-2-methoxyphenyl)-N-[(1-propyltetrazol-5-yl)carbamothioyl]prop-2-enamide
CID 4501921
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 802329
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide
CID 79513171
1-(3-bromo-4-methoxyphenyl)-2-propylsulfanylethanone
CID 43802116
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide (CID 960223) is 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide is CCCn1nnnc1NC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide?
The InChIKey is KSJXHQHTYJOQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-3-6-18-12(15-16-17-18)14-11(19)8-4-5-10(20-2)9(13)7-8/h4-5,7H,3,6H2,1-2H3,(H,14,15,17,19).
What are the key properties of 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide?
3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide has a molecular weight of 340.18 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 960223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).