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

C17H19BrN2O — CID 81357170

IUPAC2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
SMILESCC(N[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-12(14-8-10-15(18)11-9-14)19-13(2)17(21)20-16-6-4-3-5-7-16/h3-13,19H,1-2H3,(H,20,21)/t12-,13?/m1/s1
InChIKeyPQXLDOPHFLUYJY-PZORYLMUSA-N
MW347.26 g/mol
LogP4.13
Rot. Bonds5

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

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide (PubChem CID 81357170) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
PubChem CID81357170
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
SMILESCC(N[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-12(14-8-10-15(18)11-9-14)19-13(2)17(21)20-16-6-4-3-5-7-16/h3-13,19H,1-2H3,(H,20,21)/t12-,13?/m1/s1
InChIKeyPQXLDOPHFLUYJY-PZORYLMUSA-N
XLogP4.13
TPSA41.13 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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654137
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 8898640
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 51925561
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide (CID 81357170) is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide is CC(N[C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide?
The InChIKey is PQXLDOPHFLUYJY-PZORYLMUSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(14-8-10-15(18)11-9-14)19-13(2)17(21)20-16-6-4-3-5-7-16/h3-13,19H,1-2H3,(H,20,21)/t12-,13?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide?
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide has a molecular weight of 347.26 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 81357170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).