3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide

C14H20BrNO2 — CID 104981313

IUPAC3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide
SMILESCC[C@@H](CO)NC(=O)CC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-3-13(9-17)16-14(18)8-10(2)11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,16,18)/t10?,13-/m0/s1
InChIKeyYBEWKLAHFZOFMK-HQVZTVAUSA-N
MW314.22 g/mol
LogP2.83
Rot. Bonds6

About 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide

3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide (PubChem CID 104981313) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide
PubChem CID104981313
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide
SMILESCC[C@@H](CO)NC(=O)CC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-3-13(9-17)16-14(18)8-10(2)11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,16,18)/t10?,13-/m0/s1
InChIKeyYBEWKLAHFZOFMK-HQVZTVAUSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390377
3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
CID 103820505
4-bromo-N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104868922
(3S)-4-hydroxy-3-[3-(4-methoxyphenyl)butanoylamino]butanoic acid
CID 146076841
3-(4-bromophenyl)-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 104857295
ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119349149
(2S)-2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119942975
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
1-[2-(4-bromophenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 108902377
4-(4-bromophenyl)-2-oxopentanamide
CID 59163793

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide?
The IUPAC name of 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide (CID 104981313) is 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide is CC[C@@H](CO)NC(=O)CC(C)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide?
The InChIKey is YBEWKLAHFZOFMK-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-13(9-17)16-14(18)8-10(2)11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,16,18)/t10?,13-/m0/s1.
What are the key properties of 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide?
3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide has a molecular weight of 314.22 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide is sourced from PubChem (CID 104981313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).