N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide

C14H20BrNO — CID 82255064

IUPACN-[3-(2-bromo-4-methylpentyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC(Br)CC(C)C)c1
InChIInChI=1S/C14H20BrNO/c1-10(2)7-13(15)8-12-5-4-6-14(9-12)16-11(3)17/h4-6,9-10,13H,7-8H2,1-3H3,(H,16,17)
InChIKeyQRNGLXDPSJRWTJ-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.00
Rot. Bonds5

About N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide

N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide (PubChem CID 82255064) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bromo-4-methylpentyl)phenyl]acetamide
PubChem CID82255064
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[3-(2-bromo-4-methylpentyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC(Br)CC(C)C)c1
InChIInChI=1S/C14H20BrNO/c1-10(2)7-13(15)8-12-5-4-6-14(9-12)16-11(3)17/h4-6,9-10,13H,7-8H2,1-3H3,(H,16,17)
InChIKeyQRNGLXDPSJRWTJ-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.00
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

N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide
CID 82255063
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
N-[3-[2-(oxiran-2-yl)propyl]phenyl]acetamide
CID 175423992
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
N-[3-(propan-2-ylsulfinylmethyl)phenyl]acetamide
CID 89451371
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
CID 111113064
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide?
The IUPAC name of N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide (CID 82255064) is N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide is CC(=O)Nc1cccc(CC(Br)CC(C)C)c1.
What is the InChIKey of N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide?
The InChIKey is QRNGLXDPSJRWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(2)7-13(15)8-12-5-4-6-14(9-12)16-11(3)17/h4-6,9-10,13H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide?
N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide has a molecular weight of 298.22 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromo-4-methylpentyl)phenyl]acetamide is sourced from PubChem (CID 82255064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).