N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide

C18H20BrNO2 — CID 55575144

IUPACN-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-13(15-7-5-8-16(19)12-15)20-18(21)11-10-14-6-3-4-9-17(14)22-2/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyRAFRRYWQZRFXRD-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.27
Rot. Bonds6

About N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide

N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 55575144) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
PubChem CID55575144
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-13(15-7-5-8-16(19)12-15)20-18(21)11-10-14-6-3-4-9-17(14)22-2/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyRAFRRYWQZRFXRD-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 75871633
N-[1-(3-bromophenyl)ethyl]-4-chlorobutanamide
CID 63307697
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[1-(3-bromophenyl)ethyl]pent-4-enamide
CID 62678897
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
N-[1-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylpropanamide
CID 133184843

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide (CID 55575144) is N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is RAFRRYWQZRFXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13(15-7-5-8-16(19)12-15)20-18(21)11-10-14-6-3-4-9-17(14)22-2/h3-9,12-13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide?
N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 362.27 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 55575144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).