N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide

C18H20BrNO — CID 51948784

IUPACN-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
SMILESC[C@@H](Cc1ccc(Br)cc1)NC(=O)CCc1ccccc1
InChIInChI=1S/C18H20BrNO/c1-14(13-16-7-10-17(19)11-8-16)20-18(21)12-9-15-5-3-2-4-6-15/h2-8,10-11,14H,9,12-13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyZPTBUTXGMFGYOI-AWEZNQCLSA-N
MW346.27 g/mol
LogP4.13
Rot. Bonds6

About N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide

N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide (PubChem CID 51948784) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
PubChem CID51948784
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
SMILESC[C@@H](Cc1ccc(Br)cc1)NC(=O)CCc1ccccc1
InChIInChI=1S/C18H20BrNO/c1-14(13-16-7-10-17(19)11-8-16)20-18(21)12-9-15-5-3-2-4-6-15/h2-8,10-11,14H,9,12-13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyZPTBUTXGMFGYOI-AWEZNQCLSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
N-(4-bromobutan-2-yl)-3-phenylpropanamide
CID 83178672
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
2-[3-(4-bromophenyl)propanoylamino]-3-methylbutanoic acid
CID 119348409
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
CID 985952
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide (CID 51948784) is N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide is C[C@@H](Cc1ccc(Br)cc1)NC(=O)CCc1ccccc1.
What is the InChIKey of N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is ZPTBUTXGMFGYOI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-14(13-16-7-10-17(19)11-8-16)20-18(21)12-9-15-5-3-2-4-6-15/h2-8,10-11,14H,9,12-13H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide?
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 346.27 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 51948784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).