N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide

C15H12BrCl2NO2 — CID 2725599

IUPACN-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2NO2/c1-9(21-14-7-4-11(17)8-13(14)18)15(20)19-12-5-2-10(16)3-6-12/h2-9H,1H3,(H,19,20)
InChIKeyAMPPDNFRTPAVMC-UHFFFAOYSA-N
MW389.08 g/mol
LogP5.16
Rot. Bonds4

About N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide

N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 2725599) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID2725599
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC NameN-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2NO2/c1-9(21-14-7-4-11(17)8-13(14)18)15(20)19-12-5-2-10(16)3-6-12/h2-9H,1H3,(H,19,20)
InChIKeyAMPPDNFRTPAVMC-UHFFFAOYSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.08
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
4-[[(2R)-2-(4-bromo-2-chlorophenoxy)propanoyl]amino]benzamide
CID 7809676

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide (CID 2725599) is N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is AMPPDNFRTPAVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-9(21-14-7-4-11(17)8-13(14)18)15(20)19-12-5-2-10(16)3-6-12/h2-9H,1H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide?
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 389.08 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 2725599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).