5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide

C14H19BrN2O3 — CID 107908815

IUPAC5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
SMILESCOCC(=O)Nc1cccc(NC(=O)CCCCBr)c1
InChIInChI=1S/C14H19BrN2O3/c1-20-10-14(19)17-12-6-4-5-11(9-12)16-13(18)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyCJHPCQYHZIIICJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.78
Rot. Bonds8

About 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide

5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide (PubChem CID 107908815) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
PubChem CID107908815
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
SMILESCOCC(=O)Nc1cccc(NC(=O)CCCCBr)c1
InChIInChI=1S/C14H19BrN2O3/c1-20-10-14(19)17-12-6-4-5-11(9-12)16-13(18)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyCJHPCQYHZIIICJ-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromopentanoylamino)benzoic acid
CID 107908251
5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 107908922
7-bromo-N-phenylheptanamide
CID 11266084
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 39862378
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide (CID 107908815) is 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide is COCC(=O)Nc1cccc(NC(=O)CCCCBr)c1.
What is the InChIKey of 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide?
The InChIKey is CJHPCQYHZIIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-20-10-14(19)17-12-6-4-5-11(9-12)16-13(18)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide?
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide has a molecular weight of 343.22 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide is sourced from PubChem (CID 107908815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).