2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide

C19H19BrN6O2 — CID 36982859

IUPAC2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C19H19BrN6O2/c1-12(2)21-19(28)15-5-3-4-6-16(15)22-17(27)11-26-24-18(23-25-26)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,28)(H,22,27)
InChIKeyMFCXTTWCHRRQQJ-UHFFFAOYSA-N
MW443.31 g/mol
LogP2.88
Rot. Bonds6

About 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 36982859) has the molecular formula C19H19BrN6O2 and a molecular weight of 443.31 g/mol. Its IUPAC name is 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID36982859
Molecular FormulaC19H19BrN6O2
Molecular Weight443.31 g/mol
Exact Mass442.08
IUPAC Name2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C19H19BrN6O2/c1-12(2)21-19(28)15-5-3-4-6-16(15)22-17(27)11-26-24-18(23-25-26)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,28)(H,22,27)
InChIKeyMFCXTTWCHRRQQJ-UHFFFAOYSA-N
XLogP2.88
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 24594294
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
N-cyclopropyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzamide
CID 27995227
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8598098
N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide
CID 8598093
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 1136557
3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide
CID 26625766

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide (CID 36982859) is 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is MFCXTTWCHRRQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6O2/c1-12(2)21-19(28)15-5-3-4-6-16(15)22-17(27)11-26-24-18(23-25-26)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,28)(H,22,27).
What are the key properties of 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 443.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 36982859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).