N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide

C16H17BrN2O2 — CID 43200099

IUPACN-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-3-8-15(14(17)9-10)21-11(2)16(20)19-13-6-4-12(18)5-7-13/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyRCLCIVMKCNZHGD-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.75
Rot. Bonds4

About N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide

N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide (PubChem CID 43200099) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
PubChem CID43200099
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-3-8-15(14(17)9-10)21-11(2)16(20)19-13-6-4-12(18)5-7-13/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyRCLCIVMKCNZHGD-UHFFFAOYSA-N
XLogP3.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 1019999
2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119522000
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide (CID 43200099) is N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(N)cc2)c(Br)c1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide?
The InChIKey is RCLCIVMKCNZHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-3-8-15(14(17)9-10)21-11(2)16(20)19-13-6-4-12(18)5-7-13/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide?
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide is sourced from PubChem (CID 43200099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).