2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

C17H15BrClN5O2 — CID 46570126

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)ccc1-n1cnnn1
InChIInChI=1S/C17H15BrClN5O2/c1-10-7-13(4-5-15(10)24-9-20-22-23-24)21-17(25)11(2)26-16-6-3-12(19)8-14(16)18/h3-9,11H,1-2H3,(H,21,25)
InChIKeyJZGPOFQYSRBBNJ-UHFFFAOYSA-N
MW436.70 g/mol
LogP3.79
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 46570126) has the molecular formula C17H15BrClN5O2 and a molecular weight of 436.70 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID46570126
Molecular FormulaC17H15BrClN5O2
Molecular Weight436.70 g/mol
Exact Mass435.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)ccc1-n1cnnn1
InChIInChI=1S/C17H15BrClN5O2/c1-10-7-13(4-5-15(10)24-9-20-22-23-24)21-17(25)11(2)26-16-6-3-12(19)8-14(16)18/h3-9,11H,1-2H3,(H,21,25)
InChIKeyJZGPOFQYSRBBNJ-UHFFFAOYSA-N
XLogP3.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.70
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231884
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196402
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877946
2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 11839379
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (CID 46570126) is 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is Cc1cc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)ccc1-n1cnnn1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is JZGPOFQYSRBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN5O2/c1-10-7-13(4-5-15(10)24-9-20-22-23-24)21-17(25)11(2)26-16-6-3-12(19)8-14(16)18/h3-9,11H,1-2H3,(H,21,25).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 436.70 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 46570126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).