4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide

C17H18BrNO2 — CID 2086539

IUPAC4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1NC(=O)CCCOc1cccc(Br)c1
InChIInChI=1S/C17H18BrNO2/c1-13-6-2-3-9-16(13)19-17(20)10-5-11-21-15-8-4-7-14(18)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20)
InChIKeyDNTXOIBTZHWCJV-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.56
Rot. Bonds6

About 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide

4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide (PubChem CID 2086539) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
PubChem CID2086539
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1NC(=O)CCCOc1cccc(Br)c1
InChIInChI=1S/C17H18BrNO2/c1-13-6-2-3-9-16(13)19-17(20)10-5-11-21-15-8-4-7-14(18)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20)
InChIKeyDNTXOIBTZHWCJV-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 2709343
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide
CID 7958724
3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
CID 26589795
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
methyl 3-[4-(3-bromophenoxy)butanoylamino]-4-chlorobenzoate
CID 31525526
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
CID 8698575
N'-[4-(3-bromophenoxy)butanoyl]benzohydrazide
CID 7969162

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide?
The IUPAC name of 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide (CID 2086539) is 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide is Cc1ccccc1NC(=O)CCCOc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide?
The InChIKey is DNTXOIBTZHWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-13-6-2-3-9-16(13)19-17(20)10-5-11-21-15-8-4-7-14(18)12-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20).
What are the key properties of 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide?
4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide has a molecular weight of 348.24 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 2086539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).