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

C17H19BrN2O2 — CID 100828381

IUPACN-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2/c1-11-10-13(19)6-9-15(11)20-16(21)17(2,3)22-14-7-4-12(18)5-8-14/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyCTLYXAKRIVEJJC-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.14
Rot. Bonds4

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

N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide (PubChem CID 100828381) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
PubChem CID100828381
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC NameN-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2/c1-11-10-13(19)6-9-15(11)20-16(21)17(2,3)22-14-7-4-12(18)5-8-14/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyCTLYXAKRIVEJJC-UHFFFAOYSA-N
XLogP4.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.14
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-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 100828380
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 17099076
2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide
CID 1257164
2-(4-bromophenoxy)-N-(2-ethylphenyl)-2-methylpropanamide
CID 17162562
N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 50878617
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-(4-bromophenoxy)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 17092504
N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108516290
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide
CID 9204506

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide (CID 100828381) is N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide is Cc1cc(N)ccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
The InChIKey is CTLYXAKRIVEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-11-10-13(19)6-9-15(11)20-16(21)17(2,3)22-14-7-4-12(18)5-8-14/h4-10H,19H2,1-3H3,(H,20,21).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide?
N-(4-amino-2-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide has a molecular weight of 363.26 g/mol, XLogP of 4.14, 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-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide is sourced from PubChem (CID 100828381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).