N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide

C15H14BrClN2O2 — CID 43080501

IUPACN-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H14BrClN2O2/c1-9(21-12-4-2-3-10(16)7-12)15(20)19-14-8-11(17)5-6-13(14)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyUQQXXTXFMHPEEX-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.09
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide

N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide (PubChem CID 43080501) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide
PubChem CID43080501
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H14BrClN2O2/c1-9(21-12-4-2-3-10(16)7-12)15(20)19-14-8-11(17)5-6-13(14)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyUQQXXTXFMHPEEX-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 62227599
N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide
CID 43327290
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 53267481
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
CID 5189907
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 2204043

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide (CID 43080501) is N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide is CC(Oc1cccc(Br)c1)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide?
The InChIKey is UQQXXTXFMHPEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-9(21-12-4-2-3-10(16)7-12)15(20)19-14-8-11(17)5-6-13(14)18/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide?
N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)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-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide is sourced from PubChem (CID 43080501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).