N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide

C18H19BrClNO3 — CID 26159691

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C18H19BrClNO3/c1-3-24-18-15(19)10-13(20)11-16(18)21-17(22)9-6-12-4-7-14(23-2)8-5-12/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,21,22)
InChIKeyPGYLITGIWMSNHH-UHFFFAOYSA-N
MW412.71 g/mol
LogP5.08
Rot. Bonds7

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 26159691) has the molecular formula C18H19BrClNO3 and a molecular weight of 412.71 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID26159691
Molecular FormulaC18H19BrClNO3
Molecular Weight412.71 g/mol
Exact Mass411.02
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C18H19BrClNO3/c1-3-24-18-15(19)10-13(20)11-16(18)21-17(22)9-6-12-4-7-14(23-2)8-5-12/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,21,22)
InChIKeyPGYLITGIWMSNHH-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30840828
6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
CID 43704625
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 26159622
methyl N-[4-(3-bromo-5-chloro-2-ethoxyanilino)-4-oxobutyl]-N-methylcarbamate
CID 86891822
N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide
CID 43549510
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43055288
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 55807308
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide
CID 122304420

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide (CID 26159691) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide is CCOc1c(Br)cc(Cl)cc1NC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is PGYLITGIWMSNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO3/c1-3-24-18-15(19)10-13(20)11-16(18)21-17(22)9-6-12-4-7-14(23-2)8-5-12/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,21,22).
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 412.71 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 26159691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).