(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide

C15H20BrNO2 — CID 149334203

IUPAC(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide
SMILESCC[C@H](C)[C@H](CC(=O)Cc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C15H20BrNO2/c1-3-10(2)14(15(17)19)9-13(18)8-11-4-6-12(16)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3,(H2,17,19)/t10-,14-/m0/s1
InChIKeyYCXIGGZWNDMVLT-HZMBPMFUSA-N
MW326.23 g/mol
LogP3.10
Rot. Bonds7

About (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide

(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide (PubChem CID 149334203) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide.

Molecular Properties

Compound Name(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide
PubChem CID149334203
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide
SMILESCC[C@H](C)[C@H](CC(=O)Cc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C15H20BrNO2/c1-3-10(2)14(15(17)19)9-13(18)8-11-4-6-12(16)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3,(H2,17,19)/t10-,14-/m0/s1
InChIKeyYCXIGGZWNDMVLT-HZMBPMFUSA-N
XLogP3.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanoyl]amino]acetic acid
CID 148880465
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825794
(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
CID 147604512
2-butan-2-ylbutanediamide
CID 87535883
(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
CID 58071164
(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide
CID 152833510
6-amino-1-(4-bromophenyl)heptan-2-one
CID 116610163
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
CID 60963304
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium
CID 8643350

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide?
The IUPAC name of (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide (CID 149334203) is (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide.
What is the SMILES notation for (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide?
The canonical SMILES for (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide is CC[C@H](C)[C@H](CC(=O)Cc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide?
The InChIKey is YCXIGGZWNDMVLT-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-3-10(2)14(15(17)19)9-13(18)8-11-4-6-12(16)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3,(H2,17,19)/t10-,14-/m0/s1.
What are the key properties of (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide?
(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide has a molecular weight of 326.23 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide is sourced from PubChem (CID 149334203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).