2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride

C12H18BrClN2O2 — CID 120983408

IUPAC2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1ccccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-8(9-5-3-4-6-10(9)13)15-12(16)11(14)7-17-2;/h3-6,8,11H,7,14H2,1-2H3,(H,15,16);1H
InChIKeyWRZAJQLOTNIXGG-UHFFFAOYSA-N
MW337.65 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120983408) has the molecular formula C12H18BrClN2O2 and a molecular weight of 337.65 g/mol. Its IUPAC name is 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120983408
Molecular FormulaC12H18BrClN2O2
Molecular Weight337.65 g/mol
Exact Mass336.02
IUPAC Name2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1ccccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-8(9-5-3-4-6-10(9)13)15-12(16)11(14)7-17-2;/h3-6,8,11H,7,14H2,1-2H3,(H,15,16);1H
InChIKeyWRZAJQLOTNIXGG-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
CID 43701793
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
CID 81380450
N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55503834
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride (CID 120983408) is 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NC(C)c1ccccc1Br.Cl.
What is the InChIKey of 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is WRZAJQLOTNIXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2.ClH/c1-8(9-5-3-4-6-10(9)13)15-12(16)11(14)7-17-2;/h3-6,8,11H,7,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 337.65 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120983408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).