N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide

C17H18BrClN2O2 — CID 100828380

IUPACN-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
SMILESCc1cc(N)cc(Cl)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C17H18BrClN2O2/c1-10-8-12(20)9-14(19)15(10)21-16(22)17(2,3)23-13-6-4-11(18)5-7-13/h4-9H,20H2,1-3H3,(H,21,22)
InChIKeyGUCOZJRKUNLRPT-UHFFFAOYSA-N
MW397.70 g/mol
LogP4.79
Rot. Bonds4

About N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide

N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide (PubChem CID 100828380) has the molecular formula C17H18BrClN2O2 and a molecular weight of 397.70 g/mol. Its IUPAC name is N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
PubChem CID100828380
Molecular FormulaC17H18BrClN2O2
Molecular Weight397.70 g/mol
Exact Mass396.02
IUPAC NameN-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
SMILESCc1cc(N)cc(Cl)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C17H18BrClN2O2/c1-10-8-12(20)9-14(19)15(10)21-16(22)17(2,3)23-13-6-4-11(18)5-7-13/h4-9H,20H2,1-3H3,(H,21,22)
InChIKeyGUCOZJRKUNLRPT-UHFFFAOYSA-N
XLogP4.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.70
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 100828381
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 91680763
N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide
CID 100816682
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 17099076
2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)-2-methylpropanamide
CID 17098530
N-(4-amino-2-chloro-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 100828362
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
CID 103020703
N-(4-amino-2-chloro-6-methylphenyl)-2-methoxybenzamide
CID 100817238
2-(4-bromophenoxy)-N-(2-ethylphenyl)-2-methylpropanamide
CID 17162562
2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide
CID 9204506
N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 50878617

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
The IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide (CID 100828380) is N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide is Cc1cc(N)cc(Cl)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1.
What is the InChIKey of N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
The InChIKey is GUCOZJRKUNLRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O2/c1-10-8-12(20)9-14(19)15(10)21-16(22)17(2,3)23-13-6-4-11(18)5-7-13/h4-9H,20H2,1-3H3,(H,21,22).
What are the key properties of N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide has a molecular weight of 397.70 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide is sourced from PubChem (CID 100828380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).