(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide

C14H20BrNO — CID 51660002

IUPAC(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
SMILESCC[C@@H](Br)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C14H20BrNO/c1-3-13(15)14(17)16-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,16,17)/t11-,13-/m1/s1
InChIKeyUYQUUPBNGHHXGK-DGCLKSJQSA-N
MW298.22 g/mol
LogP3.30
Rot. Bonds6

About (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide

(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide (PubChem CID 51660002) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
PubChem CID51660002
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
SMILESCC[C@@H](Br)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C14H20BrNO/c1-3-13(15)14(17)16-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,16,17)/t11-,13-/m1/s1
InChIKeyUYQUUPBNGHHXGK-DGCLKSJQSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
2-(4-phenylbutan-2-ylamino)butanoic acid
CID 64669361
(2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 93267392

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The IUPAC name of (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide (CID 51660002) is (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The canonical SMILES for (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide is CC[C@@H](Br)C(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The InChIKey is UYQUUPBNGHHXGK-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-13(15)14(17)16-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,16,17)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide?
(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide has a molecular weight of 298.22 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide is sourced from PubChem (CID 51660002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).