3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide

C16H24BrNO2 — CID 103820505

IUPAC3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
SMILESCC(CC(=O)NC(CCO)C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2/c1-11(2)15(8-9-19)18-16(20)10-12(3)13-4-6-14(17)7-5-13/h4-7,11-12,15,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyRVTFANJWXVMOOO-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.47
Rot. Bonds7

About 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide

3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide (PubChem CID 103820505) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
PubChem CID103820505
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide
SMILESCC(CC(=O)NC(CCO)C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2/c1-11(2)15(8-9-19)18-16(20)10-12(3)13-4-6-14(17)7-5-13/h4-7,11-12,15,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyRVTFANJWXVMOOO-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide
CID 104981313
1-[(4-bromophenyl)methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506072
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide
CID 103751084
(2R)-2-[3-(4-aminophenyl)butanoylamino]-4-hydroxybutanoic acid
CID 107825145
3-(4-bromophenyl)-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 104857295
2-[3-(4-aminophenyl)butanoylamino]-4-hydroxybutanoic acid
CID 104502412
2-(4-bromophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107860027
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870
1-(4-bromo-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473320
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide?
The IUPAC name of 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide (CID 103820505) is 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide is CC(CC(=O)NC(CCO)C(C)C)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide?
The InChIKey is RVTFANJWXVMOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-11(2)15(8-9-19)18-16(20)10-12(3)13-4-6-14(17)7-5-13/h4-7,11-12,15,19H,8-10H2,1-3H3,(H,18,20).
What are the key properties of 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide?
3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide has a molecular weight of 342.28 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)butanamide is sourced from PubChem (CID 103820505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).