2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide

C17H19BrN2O — CID 43701793

IUPAC2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)C(N)Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-12(14-9-5-6-10-15(14)18)20-17(21)16(19)11-13-7-3-2-4-8-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)
InChIKeySRGCPQVFMAMWSL-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.20
Rot. Bonds5

About 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide

2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide (PubChem CID 43701793) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
PubChem CID43701793
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
SMILESCC(NC(=O)C(N)Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-12(14-9-5-6-10-15(14)18)20-17(21)16(19)11-13-7-3-2-4-8-13/h2-10,12,16H,11,19H2,1H3,(H,20,21)
InChIKeySRGCPQVFMAMWSL-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 61178322
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
benzyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate
CID 130164899
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 113416387
(2S)-2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272993
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide (CID 43701793) is 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide is CC(NC(=O)C(N)Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is SRGCPQVFMAMWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(14-9-5-6-10-15(14)18)20-17(21)16(19)11-13-7-3-2-4-8-13/h2-10,12,16H,11,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide?
2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 347.26 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 43701793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).