N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide

C16H24BrNO — CID 82259405

IUPACN-[4-(2-bromopentyl)phenyl]-3-methylbutanamide
SMILESCCCC(Br)Cc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C16H24BrNO/c1-4-5-14(17)11-13-6-8-15(9-7-13)18-16(19)10-12(2)3/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyOHMZVLXSWFSUMQ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.78
Rot. Bonds7

About N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide

N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide (PubChem CID 82259405) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(2-bromopentyl)phenyl]-3-methylbutanamide
PubChem CID82259405
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[4-(2-bromopentyl)phenyl]-3-methylbutanamide
SMILESCCCC(Br)Cc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C16H24BrNO/c1-4-5-14(17)11-13-6-8-15(9-7-13)18-16(19)10-12(2)3/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyOHMZVLXSWFSUMQ-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.78
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]butanamide
CID 82259537
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-[4-(2-bromo-4-methylpentyl)phenyl]acetamide
CID 82255063
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
2-methyl-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid
CID 115164929
N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide
CID 135320602
3-methyl-N-[4-(pentylamino)phenyl]butanamide
CID 112985181
4-(4-acetamidophenyl)-3-bromobutanoic acid
CID 82351983
ethyl (2R)-2-[4-(3-methylbutanoylamino)anilino]propanoate
CID 95628149
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide (CID 82259405) is N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide is CCCC(Br)Cc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide?
The InChIKey is OHMZVLXSWFSUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-4-5-14(17)11-13-6-8-15(9-7-13)18-16(19)10-12(2)3/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide?
N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide has a molecular weight of 326.28 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 82259405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).