N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide

C15H12BrCl2NO2 — CID 103479982

IUPACN-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C15H12BrCl2NO2/c1-9(21-11-5-2-4-10(17)8-11)15(20)19-13-7-3-6-12(18)14(13)16/h2-9H,1H3,(H,19,20)
InChIKeyYAYRACNSZFWHHG-UHFFFAOYSA-N
MW389.08 g/mol
LogP5.16
Rot. Bonds4

About N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide

N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 103479982) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID103479982
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C15H12BrCl2NO2/c1-9(21-11-5-2-4-10(17)8-11)15(20)19-13-7-3-6-12(18)14(13)16/h2-9H,1H3,(H,19,20)
InChIKeyYAYRACNSZFWHHG-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

(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
CID 5189907
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
N-(2-amino-4-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 62227599
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide (CID 103479982) is N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is YAYRACNSZFWHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-9(21-11-5-2-4-10(17)8-11)15(20)19-13-7-3-6-12(18)14(13)16/h2-9H,1H3,(H,19,20).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide?
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)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-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 103479982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).