(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide

C11H14BrFN2O — CID 119299762

IUPAC(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-7(14)11(16)15-5-4-8-2-3-10(13)9(12)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyPBGOIJJDNKUQPD-SSDOTTSWSA-N
MW289.15 g/mol
LogP1.59
Rot. Bonds4

About (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide

(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide (PubChem CID 119299762) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
PubChem CID119299762
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-7(14)11(16)15-5-4-8-2-3-10(13)9(12)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyPBGOIJJDNKUQPD-SSDOTTSWSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299748
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119742387
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
(2S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94184107
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
1-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505097
3-amino-1-(3-bromo-4-fluorophenyl)butan-2-one
CID 116551731
2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119742406
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
methyl N-[3-[2-(3-bromo-4-fluorophenyl)ethylamino]-3-oxopropyl]carbamate
CID 56783360

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide (CID 119299762) is (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide is C[C@@H](N)C(=O)NCCc1ccc(F)c(Br)c1.
What is the InChIKey of (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide?
The InChIKey is PBGOIJJDNKUQPD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7(14)11(16)15-5-4-8-2-3-10(13)9(12)6-8/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide?
(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide has a molecular weight of 289.15 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 119299762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).