N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide

C15H13BrClNO2 — CID 108789381

IUPACN-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2/c16-11-5-7-12(8-6-11)18-15(19)9-10-20-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyJCNZFTCEHVQFLV-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.51
Rot. Bonds5

About N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide

N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide (PubChem CID 108789381) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
PubChem CID108789381
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC NameN-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2/c16-11-5-7-12(8-6-11)18-15(19)9-10-20-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyJCNZFTCEHVQFLV-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
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N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
CID 16787023
3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 108802305
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
CID 55952611
2-(diethylamino)ethyl 4-[3-(2-chlorophenoxy)propanoylamino]benzoate
CID 108789465
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
3-(2-chlorophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108802323
3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
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2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide (CID 108789381) is N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide is O=C(CCOc1ccccc1Cl)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide?
The InChIKey is JCNZFTCEHVQFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-11-5-7-12(8-6-11)18-15(19)9-10-20-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide?
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide has a molecular weight of 354.63 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide is sourced from PubChem (CID 108789381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).