4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

C10H10BrN5O — CID 112705937

IUPAC4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2nn[nH]n2)ccc1Br
InChIInChI=1S/C10H10BrN5O/c1-6-4-7(2-3-8(6)11)10(17)12-5-9-13-15-16-14-9/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyFECIQMKSLWLDNY-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.20
Rot. Bonds3

About 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 112705937) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID112705937
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2nn[nH]n2)ccc1Br
InChIInChI=1S/C10H10BrN5O/c1-6-4-7(2-3-8(6)11)10(17)12-5-9-13-15-16-14-9/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyFECIQMKSLWLDNY-UHFFFAOYSA-N
XLogP1.20
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 103854330
4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112702660
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341
3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62680335
3-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 76927218
3-chloro-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82781351
4-bromo-3-methyl-N-prop-2-ynylbenzamide
CID 115769506

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 112705937) is 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is Cc1cc(C(=O)NCc2nn[nH]n2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is FECIQMKSLWLDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-6-4-7(2-3-8(6)11)10(17)12-5-9-13-15-16-14-9/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 296.13 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 112705937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).