2-amino-N-[1-(4-bromophenyl)ethyl]propanamide

C11H15BrN2O — CID 60718990

IUPAC2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
SMILESCC(N)C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-7(13)11(15)14-8(2)9-3-5-10(12)6-4-9/h3-8H,13H2,1-2H3,(H,14,15)
InChIKeyPVEZAUHXMVQUCA-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.97
Rot. Bonds3

About 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide

2-amino-N-[1-(4-bromophenyl)ethyl]propanamide (PubChem CID 60718990) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
PubChem CID60718990
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
SMILESCC(N)C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-7(13)11(15)14-8(2)9-3-5-10(12)6-4-9/h3-8H,13H2,1-2H3,(H,14,15)
InChIKeyPVEZAUHXMVQUCA-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
CID 81359115
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81360072
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide (CID 60718990) is 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide is CC(N)C(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide?
The InChIKey is PVEZAUHXMVQUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7(13)11(15)14-8(2)9-3-5-10(12)6-4-9/h3-8H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide?
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide has a molecular weight of 271.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-bromophenyl)ethyl]propanamide is sourced from PubChem (CID 60718990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).