2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide

C17H15BrClN5O — CID 46624222

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H15BrClN5O/c1-10-3-8-14(19)9-15(10)20-17(25)11(2)24-22-16(21-23-24)12-4-6-13(18)7-5-12/h3-9,11H,1-2H3,(H,20,25)
InChIKeyIEXSSIDCVBLRLE-UHFFFAOYSA-N
MW420.70 g/mol
LogP4.26
Rot. Bonds4

About 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 46624222) has the molecular formula C17H15BrClN5O and a molecular weight of 420.70 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID46624222
Molecular FormulaC17H15BrClN5O
Molecular Weight420.70 g/mol
Exact Mass419.01
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H15BrClN5O/c1-10-3-8-14(19)9-15(10)20-17(25)11(2)24-22-16(21-23-24)12-4-6-13(18)7-5-12/h3-9,11H,1-2H3,(H,20,25)
InChIKeyIEXSSIDCVBLRLE-UHFFFAOYSA-N
XLogP4.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.70
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
CID 55433773
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46582904
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 46624217
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7489678
(2S)-N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353587
(2R)-N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353588
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46647379
4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide
CID 38983810

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide (CID 46624222) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(Cl)cc1NC(=O)C(C)n1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is IEXSSIDCVBLRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN5O/c1-10-3-8-14(19)9-15(10)20-17(25)11(2)24-22-16(21-23-24)12-4-6-13(18)7-5-12/h3-9,11H,1-2H3,(H,20,25).
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide?
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 420.70 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 46624222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).