N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide

C15H14BrClN2O2 — CID 28531859

IUPACN-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
SMILESNc1cc(NC(=O)CCOc2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C15H14BrClN2O2/c16-10-2-1-3-12(8-10)21-7-6-15(20)19-11-4-5-13(17)14(18)9-11/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyVJZWPVZSTPMSAU-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.09
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide

N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide (PubChem CID 28531859) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
PubChem CID28531859
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC NameN-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
SMILESNc1cc(NC(=O)CCOc2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C15H14BrClN2O2/c16-10-2-1-3-12(8-10)21-7-6-15(20)19-11-4-5-13(17)14(18)9-11/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyVJZWPVZSTPMSAU-UHFFFAOYSA-N
XLogP4.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 29046897
3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26687166
3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
CID 26589795
3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86931919
N-(4-amino-3-bromophenyl)-3-phenoxypropanamide
CID 82861847
3-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 26576342
N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66234466
N-(3-amino-4-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81313501
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide (CID 28531859) is N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide is Nc1cc(NC(=O)CCOc2cccc(Br)c2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide?
The InChIKey is VJZWPVZSTPMSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-10-2-1-3-12(8-10)21-7-6-15(20)19-11-4-5-13(17)14(18)9-11/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide?
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide has a molecular weight of 369.65 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide is sourced from PubChem (CID 28531859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).