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

C15H14BrClN2O2 — CID 43080396

IUPACN-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H14BrClN2O2/c1-9(21-14-7-2-10(17)8-13(14)16)15(20)19-12-5-3-11(18)4-6-12/h2-9H,18H2,1H3,(H,19,20)
InChIKeyGUOKIVQKTLISKG-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.09
Rot. Bonds4

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

N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide (PubChem CID 43080396) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
PubChem CID43080396
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC NameN-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H14BrClN2O2/c1-9(21-14-7-2-10(17)8-13(14)16)15(20)19-12-5-3-11(18)4-6-12/h2-9H,18H2,1H3,(H,19,20)
InChIKeyGUOKIVQKTLISKG-UHFFFAOYSA-N
XLogP4.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.09
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-methylphenoxy)propanamide
CID 43200099
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 42944501
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
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide (CID 43080396) is N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide?
The InChIKey is GUOKIVQKTLISKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-9(21-14-7-2-10(17)8-13(14)16)15(20)19-12-5-3-11(18)4-6-12/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide?
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide has a molecular weight of 369.65 g/mol, XLogP of 4.09, 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-chlorophenoxy)propanamide is sourced from PubChem (CID 43080396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).