3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide

C18H17BrN6O2 — CID 26625766

IUPAC3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C18H17BrN6O2/c1-2-20-18(27)13-4-3-5-15(10-13)21-16(26)11-25-23-17(22-24-25)12-6-8-14(19)9-7-12/h3-10H,2,11H2,1H3,(H,20,27)(H,21,26)
InChIKeyGUOLBOFZMOFFCW-UHFFFAOYSA-N
MW429.28 g/mol
LogP2.49
Rot. Bonds6

About 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide

3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide (PubChem CID 26625766) has the molecular formula C18H17BrN6O2 and a molecular weight of 429.28 g/mol. Its IUPAC name is 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide
PubChem CID26625766
Molecular FormulaC18H17BrN6O2
Molecular Weight429.28 g/mol
Exact Mass428.06
IUPAC Name3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C18H17BrN6O2/c1-2-20-18(27)13-4-3-5-15(10-13)21-16(26)11-25-23-17(22-24-25)12-6-8-14(19)9-7-12/h3-10H,2,11H2,1H3,(H,20,27)(H,21,26)
InChIKeyGUOLBOFZMOFFCW-UHFFFAOYSA-N
XLogP2.49
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7589299
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide
CID 8598093
methyl 3-[[2-(5-pyridin-4-yltetrazol-2-yl)acetyl]amino]benzoate
CID 859178
N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491173
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(3-hydroxyphenyl)acetamide
CID 860865
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
N-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]benzamide
CID 18131505
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide
CID 1463687
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide (CID 26625766) is 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c1.
What is the InChIKey of 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide?
The InChIKey is GUOLBOFZMOFFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN6O2/c1-2-20-18(27)13-4-3-5-15(10-13)21-16(26)11-25-23-17(22-24-25)12-6-8-14(19)9-7-12/h3-10H,2,11H2,1H3,(H,20,27)(H,21,26).
What are the key properties of 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide?
3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide has a molecular weight of 429.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 26625766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).